Heterophyllin B
HIT212664541
sdf文件结构编辑类似物检索
HIT ID: HIT212664541
Cas No: 145459-19-4
分子式: C40H58N8O8
分子量: 778.952
常用名: Heterophyllin B
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -0.36918333
IUPAC: (3S,9S,15S,24S,27S,30S)-24-benzyl-27-[(2S)-butan-2-yl]-15-(2-methylpropyl)-1,7,13,16,19,22,25,28-octaazatetracyclo[28.3.0.0^{3,7}.0^{9,13}]tritriacontan-2,8,14,17,20,23,26,29-octone
IUPAC: (3S,9S,15S,24S,27S,30S)-24-benzyl-27-[(2S)-butan-2-yl]-15-(2-methylpropyl)-1,7,13,16,19,22,25,28-octaazatetracyclo[28.3.0.0^{3,7}.0^{9,13}]tritriacontan-2,8,14,17,20,23,26,29-octone
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O
InChI key: KYAVLJJQNUHRMR-PPLFBOPFSA-N
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