Clovibactin
HIT217584805
sdf文件结构编辑类似物检索
HIT ID: HIT217584805
Cas No: T82705
分子式: C43H70N10O11
分子量: 903.092
常用名: Clovibactin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S,6S,9S,12R,13R)-12-[(2S)-2-[(2R)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]hexanamido]-3-hydroxypropanamido]-9-methyl-3,6-bis(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecane-13-carboxamide
IUPAC: (3S,6S,9S,12R,13R)-12-[(2S)-2-[(2R)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]hexanamido]-3-hydroxypropanamido]-9-methyl-3,6-bis(2-methylpropyl)-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecane-13-carboxamide
SMILES: CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@@H](OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(N)=O
SMILES: CC(C)C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@@H](OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(N)=O
InChI key: SMQAHGKBWXPEHB-HHHSQLJLSA-N
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