L-Phenylalanine,N-[N-(N2-L-tyrosyl-D-arginyl)glycyl]-, ethyl ester (9CI) | 117062-52-9
L-Phenylalanine,N-[N-(N2-L-tyrosyl-D-arginyl)glycyl]-, ethyl ester (9CI)
117062-52-9
C28H39N7O6
569.65256
名称和标识符
InChIKey |
DOLAHRVYTBNXSN-VABKMULXSA-N |
Inchi |
InChI=1S/C28H39N7O6/c1-2-41-27(40)23(16-18-7-4-3-5-8-18)34-24(37)17-33-26(39)22(9-6-14-32-28(30)31)35-25(38)21(29)15-19-10-12-20(36)13-11-19/h3-5,7-8,10-13,21-23,36H,2,6,9,14-17,29H2,1H3,(H,33,39)(H,34,37)(H,35,38)(H4,30,31,32)/t21-,22-,23-/m0/s1 |
SMILES |
N/C(=N/CCC[C@@H](C(NCC(N[C@@H](CC1C=CC=CC=1)C(OCC)=O)=O)=O)NC([C@H](CC1C=CC(O)=CC=1)N)=O)/N |
别名信息
- 英文别名 -
- L-Phenylalanine,N-[N-(N2-L-tyrosyl-D-arginyl)glycyl]-, ethyl ester (9CI)
- tyrosyl-arginyl-glycyl-phenylalanine ethyl ester
- ethyl L-tyrosyl-N~5~-(diaminomethylidene)-D-ornithylglycyl-L-phenylalaninate
- L-Phenylalanine, N-(N-(N2-L-tyrosyl-D-arginyl)glycyl)-, ethyl ester
- N-(N-(N2-L-tyrosyl-D-arginyl)glycyl)-L-phenylalanine ethyl ester
- Tyr-arg-gly-phe-oet
- DTXSID80922271
- DTXSID80922271
- 2-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-5-carbamimidamido-N-{2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)imino]-2-hydroxyethyl}pentanimidic acid
- 2-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-5-carbamimidamido-N-{2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)imino]-2-hydroxyethyl}pentanimidic acid
- Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester
- Tyrosyl-arginyl-glycyl-phenylalanine ethyl ester
- 117062-52-9
- 117062-52-9
- ethyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoate
- ethyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoate
物化性质
计算特性
精确分子量 |
569.29618199g/mol |
氢键供体数量 |
7 |
氢键受体数量 |
8 |
可旋转化学键数量 |
17 |
同位素质量 |
569.29618199g/mol |
重原子数量 |
41 |
复杂度 |
868 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
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) |
-0.3 |
拓扑分子极性表面积 |
224Ų |