Thiocoraline
HIT214320970
sdf文件结构编辑类似物检索
HIT ID: HIT214320970
Cas No: 173046-02-1
分子式: C48H56N10O12S6
分子量: 1157.39
常用名: Thiocoraline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-hydroxy-N-[(1R,7S,11S,14R,20S,24S)-20-(3-hydroxyquinoline-2-amido)-2,12,15,25-tetramethyl-11,24-bis[(methylsulfanyl)methyl]-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacontan-7-yl]quinoline-2-carboxamide
IUPAC: 3-hydroxy-N-[(1R,7S,11S,14R,20S,24S)-20-(3-hydroxyquinoline-2-amido)-2,12,15,25-tetramethyl-11,24-bis[(methylsulfanyl)methyl]-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacontan-7-yl]quinoline-2-carboxamide
SMILES: [H][C@]12CSSC[C@]([H])(N(C)C(=O)CNC(=O)[C@@H](CSC(=O)[C@H](CSC)N(C)C1=O)NC(=O)c1nc3ccccc3cc1O)C(=O)N(C)[C@@H](CSC)C(=O)SC[C@@H](NC(=O)c1nc3ccccc3cc1O)C(=O)NCC(=O)N2C
SMILES: [H][C@]12CSSC[C@]([H])(N(C)C(=O)CNC(=O)[C@@H](CSC(=O)[C@H](CSC)N(C)C1=O)NC(=O)c1nc3ccccc3cc1O)C(=O)N(C)[C@@H](CSC)C(=O)SC[C@@H](NC(=O)c1nc3ccccc3cc1O)C(=O)NCC(=O)N2C
InChI key: UPGGKUQISSWRJJ-ZRBWWFCKSA-N
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