Racemomycin B
HIT212711295
sdf文件结构编辑类似物检索
HIT ID: HIT212711295
Cas No: 3776-37-2
分子式: C31H58N12O10
分子量: 758.879
常用名: Racemomycin B
氢键受体数 (HBA): 16
氢键供体数 (HBD): 14
LogP: -7.7626476
IUPAC: (2R,3R,4S,5R,6R)-6-{[(3aS,7R,7aS)-7-hydroxy-4-oxo-1H,3aH,4H,5H,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl]amino}-5-[(3S)-3-amino-6-[(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido]hexanamido]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl carbamate
IUPAC: (2R,3R,4S,5R,6R)-6-{[(3aS,7R,7aS)-7-hydroxy-4-oxo-1H,3aH,4H,5H,6H,7H,7aH-imidazo[4,5-c]pyridin-2-yl]amino}-5-[(3S)-3-amino-6-[(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido]hexanamido]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl carbamate
SMILES: NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC1=N[C@H]2[C@H](N1)[C@H](O)CNC2=O |t:43|
SMILES: NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC1=N[C@H]2[C@H](N1)[C@H](O)CNC2=O |t:43|
InChI key: WUJTXMVGXDQPNN-OTQKCRDJSA-N
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