HIT ID: HIT214317769
Cas No: 204641-27-0
分子式: C64H93N11O16
分子量: 1272.509
常用名: BCH 2763
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[5-(5-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanamido)pentanamido]-3-carboxypropanamido]-3-phenylpropanamido]-5-[(2S)-2-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[5-(5-{[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanamido)pentanamido]-3-carboxypropanamido]-3-phenylpropanamido]-5-[(2S)-2-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCNC(=O)CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCNC(=O)CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: RJBDRYKLTSRHGG-GEPLSBMPSA-N
