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五肽胃泌素 | 5534-95-2

五肽胃泌素
Pentagastrin
5534-95-2
C37H49N7O9S
767.891460000001
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:五肽胃泌素结构式
9853654
五肽胃泌素价格
简介
五肽胃泌素,又名五肽促胃酸激素, Peptavlon。为人工合成的五肽,为白色或类白色粉末,无臭,几乎不溶于水、氯仿、乙醚,微溶于乙醇,溶于稀氨溶液,其铵盐溶于水(1:1000)。溶于二甲亚砜、DMF,不溶于乙醚、乙醇、苯和水;分解点为229-230℃;比旋光度[α]22D-28°-29°(0.5-2.0 mg/ml,DMF)。临床用于胃分泌功能检查和胰功能检查。
名称和标识符
MDL MFCD00076515
InChIKey NEYNJQRKHLUJRU-UHFFFAOYSA-N
Inchi 1S/C37H49N7O9S/c1-20(38)31(47)29(24-19-39-25-15-11-10-14-23(24)25)30(44-36(52)53-37(3,4)5)35(51)42-26(16-17-54-6)33(49)43-27(18-28(45)46)34(50)40-21(2)32(48)41-22-12-8-7-9-13-22/h7-15,19-21,26-27,29-30,39H,16-18,38H2,1-6H3,(H,40,50)(H,41,48)(H,42,51)(H,43,49)(H,44,52)(H,45,46)/t20-,21-,26-,27-,29?,30-/m0/s1
SMILES O=C(N[C@@H](CCSC)C(N[C@@H](CC(O)=O)C(N[C@H](C(N)=O)CC1=CC=CC=C1)=O)=O)[C@@H](NC(CCNC(OC(C)(C)C)=O)=O)CC2=CNC3=C2C=CC=C3
别名信息
- 中文别名 -
  • 五肽胃泌素
  • 甘氨酰-脯氨酰-对硝基苯胺对甲苯磺酸盐
  • N-[(1,1-二甲乙氧基)羰基]-Β-丙氨酰-L-色氨酰-L-甲硫氨酰-L-门冬氨酰-L-苯丙酰胺
  • 五肽胃必素
- 英文别名 -
  • Pentagastrin
  • Boc-b-Ala-Trp-Met-Asp-Phe-NH2
  • ICI-50123
  • ay6608
  • gastrodiagnost
  • GRP
  • lanineamide
  • pentagastrine
  • peptavlon
  • petavlon
  • petogasrin
  • N-t-Boc-β-Ala-Trp-Met-Asp-Phe amide
  • Alaninamide,N-carboxy-b-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-,N-tert-butyl ester, L- (7CI,8CI)
  • L-Phenylalaninamide,N-[(1,1-dimethylethoxy)carbonyl]-b-alanyl-L-tryptophyl-L-methionyl-L-a-aspartyl-
  • BOC-b-Ala-Try-Met-Asp-Phe(NH2)
  • ICI 50123
  • N-(a-Carbamoylphenethyl)-3-[2-[2-[3-(carboxyamino)propionamido]-3-indol-3-ylpropionamido]-4-(methylthio)butyramido]succinamicacid N-tert-butyl ester
  • N-Carboxy-b-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamideN-tert-butyl ester
  • N-t-Butyloxycarbonyl-b-alanyl-L-tryptophyl-L-methionyl-L-aspartyl-L-phenylalanineamide
  • NSC 367746
  • t-Butoxycarbonyl-b-Ala-Trp-Met-Asp-Phe-NH2
  • AY 6608
  • Peptavlon
  • N-t-Boc-beta-Ala-Trp-Met-Asp-Phe amide
  • N-t-Boc-beta-Ala-Trp-Met-Asp-Phe amide
  • PENTAGASTRIN (MART.)
  • PENTAGASTRIN (MART.)
  • V04CG04
  • V04CG04
  • Pentagastrinum (INN-Latin)
  • Pentagastrinum (INN-Latin)
  • Boc-beta-ala-try-met-asp-phe(nh2)
  • Boc-beta-ala-try-met-asp-phe(nh2)
  • CHEBI:31974
  • CHEBI:31974
  • NSC-367746
  • NSC-367746
  • Pentagastrina
  • Pentagastrina
  • PENTAGASTRIN [WHO-DD]
  • PENTAGASTRIN [WHO-DD]
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butylester, L-
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butylester, L-
  • EINECS 226-889-7
  • EINECS 226-889-7
  • PENTAGASTRIN [USAN]
  • PENTAGASTRIN [USAN]
  • UNII-EF0NX91490
  • UNII-EF0NX91490
  • Tox21_113479_1
  • Tox21_113479_1
  • PENTAGASTRIN [MI]
  • PENTAGASTRIN [MI]
  • L-PHENYLALANINAMIDE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-.BETA.-ALANYL-L-TRYPTOPHYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-
  • L-PHENYLALANINAMIDE, N-((1,1-DIMETHYLETHOXY)CARBONYL)-.BETA.-ALANYL-L-TRYPTOPHYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-
  • Pentagastrina [INN-Spanish]
  • Pentagastrina [INN-Spanish]
  • N-(alpha-Carbamoylphenethyl)-3-(2-(2-(3-(carboxyamino)propionamido)-3-indol-3-ylpropionamido)-4-(methylthio)butyramido)succinamic acid N-tert-butyl ester
  • N-(alpha-Carbamoylphenethyl)-3-(2-(2-(3-(carboxyamino)propionamido)-3-indol-3-ylpropionamido)-4-(methylthio)butyramido)succinamic acid N-tert-butyl ester
  • DTXSID3048992
  • DTXSID3048992
  • CAS-5534-95-2
  • CAS-5534-95-2
  • Petogasrin
  • Petogasrin
  • PENTAGASTRIN [INN]
  • PENTAGASTRIN [INN]
  • PETAVLON
  • PETAVLON
  • Pentagastrinum
  • Pentagastrinum
  • N-t-Butyloxycarbonyl-beta-alanyl-L-tryptophyl-L-methion yl-L-aspartyl-L-phenylalanine amide
  • N-t-Butyloxycarbonyl-beta-alanyl-L-tryptophyl-L-methion yl-L-aspartyl-L-phenylalanine amide
  • NCGC00183362-02
  • NCGC00183362-02
  • Pentagastrine (INN-French)
  • Pentagastrine (INN-French)
  • PENTAGASTRIN [VANDF]
  • PENTAGASTRIN [VANDF]
  • PENTAGASTRIN [ORANGE BOOK]
  • PENTAGASTRIN [ORANGE BOOK]
  • Gastrodiagnost
  • Gastrodiagnost
  • DTXCID9028918
  • DTXCID9028918
  • PENTAGASTRIN [JAN]
  • PENTAGASTRIN [JAN]
  • Pentagastrine
  • Pentagastrine
  • Peptavlon (TN)
  • Peptavlon (TN)
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butyl ester, L-
  • Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butyl ester, L-
  • SCHEMBL26045
  • SCHEMBL26045
  • N-Carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide N-tert-butyl ester
  • N-Carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide N-tert-butyl ester
  • 3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
  • 3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
  • BDBM50024321
  • BDBM50024321
  • Q423586
  • Q423586
  • Gastrin Pentapeptide
  • Gastrin Pentapeptide
  • NS00043181
  • NS00043181
  • (3S)-3-[(2S)-2-[(2S)-2-(3-{[(tert-butoxy)carbonyl]amino}propanamido)-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
  • (3S)-3-[(2S)-2-[(2S)-2-(3-{[(tert-butoxy)carbonyl]amino}propanamido)-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
  • (10S,13S,16S)-10-((1H-indol-3-yl)methyl)-16-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-2,2-dimethyl-13-(2-(methylthio)ethyl)-4,8,11,14-tetraoxo-3-oxa-5,9,12,15-tetraazaoctadecan-18-oic acid
  • (10S,13S,16S)-10-((1H-indol-3-yl)methyl)-16-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-2,2-dimethyl-13-(2-(methylthio)ethyl)-4,8,11,14-tetraoxo-3-oxa-5,9,12,15-tetraazaoctadecan-18-oic acid
  • MFCD00076515
  • MFCD00076515
  • EN300-19736421
  • EN300-19736421
  • D01631
  • D01631
  • Tox21_113479
  • Tox21_113479
  • EF0NX91490
  • EF0NX91490
  • (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
  • (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
  • 5534-95-2
  • 5534-95-2
  • pentagastrin
  • pentagastrin
  • Pentagastrine [INN-French]
  • Pentagastrine [INN-French]
  • ICI 50,123
  • ICI 50,123
  • PENTAGASTRIN [HSDB]
  • PENTAGASTRIN [HSDB]
  • EX-A7390
  • EX-A7390
  • MLS006009992
  • MLS006009992
  • HY-A0261
  • HY-A0261
  • CHEMBL1328
  • CHEMBL1328
  • AKOS030213248
  • AKOS030213248
  • N-(ALPHA-CARBAMOYLPHENETHYL)-3-
  • N-(ALPHA-CARBAMOYLPHENETHYL)-3-
  • Pentagastrin [USAN:INN:BAN:JAN]
  • Pentagastrin [USAN:INN:BAN:JAN]
  • N-CARBOXY-.BETA.-ALANYL-L-TRYPTOPHYL-L-METHIONYL-L-ASPARTYLPHENYL-L-ALANINAMIDE N-TERT-BUTYL ESTER
  • N-CARBOXY-.BETA.-ALANYL-L-TRYPTOPHYL-L-METHIONYL-L-ASPARTYLPHENYL-L-ALANINAMIDE N-TERT-BUTYL ESTER
  • Pentapeptide, Gastrin
  • Pentapeptide, Gastrin
  • NCGC00183362-01
  • NCGC00183362-01
  • SMR004701067
  • DB00183
  • SMR004701067
  • Pentagastrina (INN-Spanish)
  • DB00183
  • AS-56396
  • Pentagastrina (INN-Spanish)
  • N-(N-(N-(N-(N-tert-Butoxycarbonyl-beta-alanyl)-L-tryptophanyl)-L-methionyl)-L-aspartyl)-L-phenylalaninamide
  • AS-56396
  • NCGC00167300-01
  • N-(N-(N-(N-(N-tert-Butoxycarbonyl-beta-alanyl)-L-tryptophanyl)-L-methionyl)-L-aspartyl)-L-phenylalaninamide
  • HSDB 3247
  • NCGC00167300-01
  • AY-6608
  • HSDB 3247
  • Pentagastrinum [INN-Latin]
  • AY-6608
  • BRN 5472892
  • Pentagastrinum [INN-Latin]
  • Boc-beta-Ala-Trp-Met-Asp-Phe-NH2
  • BRN 5472892
  • Pentagastrin (JAN/USAN/INN)
  • Boc-beta-Ala-Trp-Met-Asp-Phe-NH2
  • CS-5667
  • Pentagastrin (JAN/USAN/INN)
  • PENTAGASTRIN [MART.]
  • CS-5667
  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-
  • PENTAGASTRIN [MART.]
  • L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-
物化性质
实验特性
LogP 4.17500
PSA 276.21000
折射率 1.604
沸点 1196.6°Cat760mmHg
熔点 229-230° (dec)
闪点 677.5°C
颜色与性状 未确定
溶解性 几乎不溶于水、乙醇、乙醚和苯,不溶于氯仿,溶于二甲基甲酰胺和稀氨水。
比旋光度 D22 -28.8 ±0.5° (DMF)
密度 1.3030
计算特性
精确分子量 767.33100
氢键供体数量 8
氢键受体数量 16
可旋转化学键数量 27
同位素质量 767.331
重原子数量 54
复杂度 1280
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.2.
互变异构体数量 64
表面电荷 0
拓扑分子极性表面积 251
国际标准相关数据
EINECS 226-889-7
专业数据库参考
PubChemId 9853654
参考资料
Reaxys RN
化合物详情(旧版)

SMILES

CSCC[C@@H](NC(=O)[C@@H](NC(=O)CCNC(=O)OC(C)(C)C)CC1C2C(=CC=CC=2)NC=1)C(=O)NC(CC(O)=O)C(=O)N[C@@H](C(N)=O)CC3=CC=CC=C3

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