HIT ID: HIT212672125
Cas No:
分子式: C23H29F3N4O8
分子量: 546.5
常用名: D-Ala-Lys-AMCA TFA (375822-19-8 free base)
常用名: D-Ala-Lys-AMCA TFA (375822-19-8 free base)
氢键受体数 (HBA): 7
氢键供体数 (HBD): 5
LogP: -2.6964586
IUPAC: (2S)-6-[2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-[(2R)-2-aminopropanamido]hexanoic acid; trifluoroacetic acid
IUPAC: (2S)-6-[2-(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetamido]-2-[(2R)-2-aminopropanamido]hexanoic acid; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.C[C@@H](N)C(=O)N[C@@H](CCCCNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O)C(O)=O
SMILES: OC(=O)C(F)(F)F.C[C@@H](N)C(=O)N[C@@H](CCCCNC(=O)Cc1c(C)c2ccc(N)cc2oc1=O)C(O)=O
InChI key: NYAHYIARVRWHRF-KKJWGQAZSA-N
