HIT ID: HIT212715373
Cas No: 80015-07-2
分子式: C23H24FN5O6
分子量: 485.472
常用名: CB 3731
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: 1.8160924
IUPAC: (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](2-fluoroethyl)amino}phenyl)formamido]pentanedioic acid
IUPAC: (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](2-fluoroethyl)amino}phenyl)formamido]pentanedioic acid
SMILES: Nc1nc(=O)c2cc(CN(CCF)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1
SMILES: Nc1nc(=O)c2cc(CN(CCF)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1
InChI key: QUHSPLVBAACUQP-SFHVURJKSA-N
