HIT ID: HIT212710926
Cas No: 105806-65-3
分子式: C21H32N6O3
分子量: 416.526
常用名: Efegatran
氢键受体数 (HBA): 7
氢键供体数 (HBD): 5
LogP: -0.6459825
IUPAC: (2S)-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
IUPAC: (2S)-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
SMILES: CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
SMILES: CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O
InChI key: KAGLWQUWUNBAOO-KSZLIROESA-N
