HIT ID: HIT218909765
Cas No: 1159500-34-1
分子式: C28H39N6O8P
分子量: 618.628
常用名: Selatogrel
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(2R)-3-[4-(butoxycarbonyl)piperazin-1-yl]-2-({6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidin-4-yl}formamido)-3-oxopropyl]phosphonic acid
IUPAC: [(2R)-3-[4-(butoxycarbonyl)piperazin-1-yl]-2-({6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidin-4-yl}formamido)-3-oxopropyl]phosphonic acid
SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](C1)OC
SMILES: CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](C1)OC
InChI key: FYXHWMQPCJOJCH-GMAHTHKFSA-N
