HIT ID: HIT212742609
Cas No: 958001-92-8
分子式: C30H38N6O12
分子量: 674.664
常用名: Ac-DNLD-AMC
氢键受体数 (HBA): 11
氢键供体数 (HBD): 8
LogP: -2.3038795
IUPAC: (3S)-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-2-carboxy-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-acetamidopropanoic acid
IUPAC: (3S)-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-2-carboxy-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-3-acetamidopropanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChI key: IBRRXVTUFUKLDZ-TUFLPTIASA-N
