Emd 55068
HIT212711032
sdf文件结构编辑类似物检索
HIT ID: HIT212711032
Cas No: 126784-34-7
分子式: C41H65N9O6
分子量: 780.028
常用名: Emd 55068
氢键受体数 (HBA): 10
氢键供体数 (HBD): 8
LogP: 0.9350701
IUPAC: 6-amino-N-[(1S)-1-[({[(2S,3S)-4-{[(1S,2S)-1-{[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]carbamoyl}-2-methylbutyl]carbamoyl}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]hexanamide
IUPAC: 6-amino-N-[(1S)-1-[({[(2S,3S)-4-{[(1S,2S)-1-{[(3-amino-5,6-dimethylpyrazin-2-yl)methyl]carbamoyl}-2-methylbutyl]carbamoyl}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]hexanamide
SMILES: CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)NCc1nc(C)c(C)nc1N
SMILES: CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN)C(=O)NCc1nc(C)c(C)nc1N
InChI key: BKSNOOPXMCZMDE-IPOFPIEFSA-N
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