HIT ID: HIT212710936
Cas No: 185252-36-2
分子式: C22H35ClN6O4S
分子量: 515.07
常用名: BMS-189664 HCl
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: -1.1478878
IUPAC: (2S)-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(2R)-2-methanesulfonamido-3-phenylpropanoyl]pyrrolidine-2-carboxamide hydrochloride
IUPAC: (2S)-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[(2R)-2-methanesulfonamido-3-phenylpropanoyl]pyrrolidine-2-carboxamide hydrochloride
SMILES: Cl.CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N
SMILES: Cl.CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(CC1)C(N)=N
InChI key: RIAGCEKPQOTXCK-VOMIJIAVSA-N
