HIT ID: HIT212710650
Cas No: 111113-73-6
分子式: C21H22N6O6
分子量: 454.443
常用名: 8-Deazahomofolic acid
氢键受体数 (HBA): 11
氢键供体数 (HBD): 6
LogP: -0.5428528
IUPAC: (2S)-2-({4-[(2-{2-amino-4-oxo-1H,4H-pyrido[3,2-d]pyrimidin-6-yl}ethyl)amino]phenyl}formamido)pentanedioic acid
IUPAC: (2S)-2-({4-[(2-{2-amino-4-oxo-1H,4H-pyrido[3,2-d]pyrimidin-6-yl}ethyl)amino]phenyl}formamido)pentanedioic acid
SMILES: Nc1nc(=O)c2nc(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1
SMILES: Nc1nc(=O)c2nc(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2[nH]1
InChI key: NHMPJFQQAWJNNS-HNNXBMFYSA-N