HIT ID: HIT212710582
Cas No: 78520-72-6
分子式: C20H21N7O6
分子量: 455.431
常用名: 11-Oxahomoaminopterin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 5
LogP: -0.3659751
IUPAC: (2S)-2-({4-[2-(2,4-diaminopteridin-6-yl)ethoxy]phenyl}formamido)pentanedioic acid
IUPAC: (2S)-2-({4-[2-(2,4-diaminopteridin-6-yl)ethoxy]phenyl}formamido)pentanedioic acid
SMILES: Nc1nc(N)c2nc(CCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
SMILES: Nc1nc(N)c2nc(CCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
InChI key: JTHMPDYXHCUKIJ-ZDUSSCGKSA-N