HIT ID: HIT212690407
Cas No: 125991-51-7
分子式: C21H24N6O5
分子量: 440.46
常用名: TNP-351
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: 0.32919475
IUPAC: (2S)-2-{[4-(3-{2,4-diamino-1H-pyrrolo[2,3-d]pyrimidin-5-yl}propyl)phenyl]formamido}pentanedioic acid
IUPAC: (2S)-2-{[4-(3-{2,4-diamino-1H-pyrrolo[2,3-d]pyrimidin-5-yl}propyl)phenyl]formamido}pentanedioic acid
SMILES: Nc1nc(N)c2c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
SMILES: Nc1nc(N)c2c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
InChI key: WLGCEMWNUHSIIS-AWEZNQCLSA-N
