HIT ID: HIT218851652
Cas No: 1374396-34-5
分子式: C38H60N10O16S
分子量: 945.01
常用名: Octapeptide-2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-4-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-4-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid
SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(O)=O
InChI key: IZUXSDLDQJZDFW-BNJNSGOPSA-N
