Name: A 76154
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318223
Cas No:136989-30-5
常用名:A 76154
别名:A-76154, A76154
IUPAC:(2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[3-(4-fluorophenyl)propanamido]-3-(naphthalen-1-yl)propanamido]-3-hydroxy-N-methylpropanamido]-3-(4-hydroxyphenyl)propanamido]-6-[(pyridin-3-yl)formamido]hexanamide
IUPAC:(2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[3-(4-fluorophenyl)propanamido]-3-(naphthalen-1-yl)propanamido]-3-hydroxy-N-methylpropanamido]-3-(4-hydroxyphenyl)propanamido]-6-[(pyridin-3-yl)formamido]hexanamide
InChI key:VYGPUWBUOCYQLN-QXQYNOHQSA-N

分子式:C70H93FN12O12
分子量:1313.584
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

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