HIT ID: HIT214320803
Cas No: 182683-50-7
分子式: C37H65N9O13
分子量: 843.977
常用名: Epsilon-V1-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}butanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |@:30|
SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |@:30|
InChI key: KNTBAGOTDJPUJV-XMTFRXHISA-N