HIT ID: HIT212690406
Cas No: 119770-54-6
分子式: C21H22N6O6
分子量: 454.443
常用名: 11-Deazahomofolic acid
氢键受体数 (HBA): 11
氢键供体数 (HBD): 5
LogP: 1.1823959
IUPAC: (2S)-2-({4-[3-(2-amino-4-oxo-1,4-dihydropteridin-6-yl)propyl]phenyl}formamido)pentanedioic acid
IUPAC: (2S)-2-({4-[3-(2-amino-4-oxo-1,4-dihydropteridin-6-yl)propyl]phenyl}formamido)pentanedioic acid
SMILES: Nc1nc(=O)c2nc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
SMILES: Nc1nc(=O)c2nc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
InChI key: MJHZEXKOLNBMAE-AWEZNQCLSA-N