G7-18NATE
HIT218848075
sdf文件结构编辑类似物检索
HIT ID: HIT218848075
Cas No: 936728-13-1
分子式: C67H80N14O19S
分子量: 1417.52
常用名: G7-18NATE
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[(3R,9S,12S,15S,21S,24S,27S,30S,33S,38aS)-12,33-dibenzyl-3-carbamoyl-27-(carbamoylmethyl)-24-(carboxymethyl)-30-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-1,7,10,13,16,19,22,25,28,31,34-undecaoxo-hexatriacontahydro-1H-pyrrolo[2,1-f]1-thia-4,7,10,13,16,19,22,25,28,31,34-undecaazacyclohexatriacontan-15-yl]propanoic acid
IUPAC: 3-[(3R,9S,12S,15S,21S,24S,27S,30S,33S,38aS)-12,33-dibenzyl-3-carbamoyl-27-(carbamoylmethyl)-24-(carboxymethyl)-30-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-9-[(1H-indol-3-yl)methyl]-1,7,10,13,16,19,22,25,28,31,34-undecaoxo-hexatriacontahydro-1H-pyrrolo[2,1-f]1-thia-4,7,10,13,16,19,22,25,28,31,34-undecaazacyclohexatriacontan-15-yl]propanoic acid
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)CSC[C@H](NC2=O)C(N)=O)[C@@H](C)O
InChI key: LLCKWEISJGAWKL-NOLDGVLCSA-N
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