HIT ID: HIT218903679
Cas No:
分子式: C49H71N9O14S
分子量: 1042.22
常用名: FAM49B (190-198) mouse
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}butanoic acid
SMILES: CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: GYOMNVUKNCZDBA-JTNAGFTPSA-N
