3-氨基-4-[(1-苄基-2-甲氧基-2-氧代乙基)氨基]-4-氧代丁酸 | 25548-16-7
3-氨基-4-[(1-苄基-2-甲氧基-2-氧代乙基)氨基]-4-氧代丁酸
3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
25548-16-7
C14H18N2O5
294.30312
名称和标识符
MDL |
MFCD00176858 |
InChIKey |
IAOZJIPTCAWIRG-UHFFFAOYSA-N |
Inchi |
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18) |
SMILES |
COC(C(NC(C(N)CC(O)=O)=O)CC1=CC=CC=C1)=O |
别名信息
- 中文别名 -
- 3-氨基-4-[(1-苄基-2-甲氧基-2-氧代乙基)氨基]-4-氧代丁酸
- 英文别名 -
- 3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
- Phenylalanine,a-aspartyl-, 2-methyl ester
- A-aspartylphenylalaninate
- Aminosweet
- D-Asp-L-PheOMe
- Dipeptide sweetener
- Equal
- methyl
- Sweet dipeptide
- Tri-sweet
- SR-01000639290
- SMR001550628
- CERAPP_20629
- MFCD00176858
- AM20060824
- L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl ester
- SR-01000639290-2
- SC-1886
- SC1886
- SC 1886
- Nutrasweet
- Asp-Phe methyl ester
- Asp-phe-ome
- FT-0614963
- SCHEMBL3637
- HMS3655P11
- Phenylalanine,a-aspartyl-,2-methyl ester
- CS-0450210
- 3-Amino-N-(.alpha.-carboxyphenethyl)succinamic acid N-methyl ester
- IAOZJIPTCAWIRG-UHFFFAOYSA-N
- L-Phenylalanine, N-L-.alpha.-aspartyl-, 1-methyl ester
- methyl alpha-aspartylphenylalaninate
- 3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid #
- 25548-16-7
- 3-Amino-4-((1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
- FT-0627714
- MLS003883739
- AKOS005613003
- Succinamic acid, 3-amino-N-(.alpha.-carboxyphenethyl)-, N-methyl ester, stereoisomer
- N-(L-a-Aspartyl)-L-phenylalanine methyl ester
- 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
- MLS006011904
- CCG-49864
- L-.alpha.-Aspartyl-L-phenylalanine methyl ester
- CHEMBL312245
- CHEBI:177838
- APM
- Canderel
- L-alpha-aspartyl-L-phenylalanine-methylester
- (S)-3-Amino-4-(((S)-1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid
- SR-01000639290-1
- HMS3370L06
- L001103
- 3-amino-4-(1-methoxy-1-oxo-3-phenylpropan-2-ylamino)-4-oxobutanoic acid
- DTXSID80860285
- L-Phenylalanine,l-a-aspartyl-,2-methyl ester
- 3-Amino-N-(.alpha.-methoxycarbonylphenethyl) succinamic acid
- AS-12189
- L-Aspartame
- 3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid, 95% (H-DL-Asp-DL-Phe-OMe)
- N-L-.alpha.-Aspartyl-L-phenylalanine methyl ester
- BCP31846
- DTXSID90274359
- NCGC00095160-02
- NCGC00095160-01
- SY012642
物化性质
实验特性
LogP |
0.78010 |
PSA |
118.72000 |
熔点 |
248 °C |
计算特性
精确分子量 |
294.12200 |
氢键供体数量 |
3 |
氢键受体数量 |
7 |
可旋转化学键数量 |
9 |
同位素质量 |
294.12157168g/mol |
重原子数量 |
21 |
复杂度 |
380 |
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 |
2 |
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) |
-2.7 |
拓扑分子极性表面积 |
119Ų |
海关数据
海关编码 |
2924293000 |
海关数据 |
中国海关编码:
2924293000
概述:
2924293000 阿斯巴甜。监管条件:无。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0%
Summary:
2924293000 3-amino-4-((1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。Lowest tariff:6.5%。General tariff:30.0%
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