找化学品上960化工网!
960化工网

喷曲肽 | 138661-02-6

喷曲肽结构式图片|138661-02-6结构式图片
喷曲肽
2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid
138661-02-6
C63H87N13O19S2
1394.57058
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:喷曲肽结构式
喷曲肽MSDS
165715153
简介
喷曲肽(Pentetreotide ),是一种多肽。 CAS号为138661-02-6,分子式为C62H85N13O19S2,分子量1380.54000。喷曲肽为诊断剂,临床上用于肿瘤的成像。
名称和标识符
MDL MFCD18251729
InChIKey CNLWNYCFDMAZCB-UHFFFAOYSA-N
Inchi InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)
SMILES NCCCCC1NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CC2C=CC=CC=2)NC(=O)C(NC(C(CC2C=CC=CC=2)NC(CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)=O)=O)CSSCC(C(NC(C(O)C)CO)=O)NC(=O)C(C(O)C)NC1=O
别名信息
- 中文别名 -
  • 喷曲肽
- 英文别名 -
  • L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxym...
  • L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-c
  • L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydrox
  • Pentetreotide
  • [DTPA-D-Phe1]octreotide
  • L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-,cyclic (3&reg
  • L-Cysteinamide,N-[2-[[2-bis(carboxymethyl)amino]-ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-try
  • N-(2-((2-(Bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (3-8)-disulfide
  • Pentreotide
  • L-Cysteinamide,N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-,cyclic (3&reg
  • 8)-disulfide
  • 2-{2-({2-({(1R)-1-{(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{(2R,3R)-1,3-dihydroxybutan-2-ylcarbamoyl}-7-(1R)-1-hydroxyethyl-13-(1H-indol-3-yl)methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-ylcarbamoyl}-2-phenylethylcarbamoyl}methyl)(carboxymethyl)aminoethyl}(carboxymethyl)amino)ethyl(carboxymethyl)amino}acetic acid
  • L-Cysteinamide, N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (3-8)-disulfide, (R-,(R*,R*))-
  • DTPA-SMS
  • G083B71P98
  • SDZ-215811
  • SDZ 215-811s
  • DTPA-octreotide
  • UNII-G083B71P98
  • PENTETOREOTIDE [JAN]
  • PENTETREOTIDE [JAN]
  • N-(2-((2-(Bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (3->8)-disulfide
  • SDZ-215-811S
  • SCHEMBL180440
  • Q27278446
  • (-)-pentetoreotide
  • 111 In -pentetreotide
  • PENTETREOTIDE [MI]
  • DB12602
  • Pentetreotide [INN:BAN]
  • PENTETREOTIDE [INN]
  • Sdz-215-811
  • 138661-02-6
物化性质
实验特性
LogP -0.27660
PSA 544.82000
折射率 1.678
沸点 1717.4°Cat760mmHg
闪点 992.4°C
密度 1.47
计算特性
精确分子量 1379.55000
氢键供体数量 17
氢键受体数量 25
可旋转化学键数量 34
同位素质量 1393.568
重原子数量 97
复杂度 2590
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 10
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) -9.4
互变异构体数量 1000
表面电荷 0
拓扑分子极性表面积 545A^2
专业数据库参考
PubChemId 165715153
化合物详情(旧版)

SMILES

NCCCCC1C(=O)NC(C(C)O)C(=O)NC(CSSCC(NC(=O)C(NC(=O)CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC(O)=O)CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(=O)N1)CC4C5C(=CC=CC=5)NC=4)C(=O)NC(CO)C(C)O

960化工网为您提供喷曲肽专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:138661-02-6,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:138661-02-6
平台客服 平台客服

平台在线客服