HIT ID: HIT212080592
Cas No: 2376990-26-8
分子式: C28H43Cl2N5O5S
分子量: 632.64
常用名: (S,R,S)-AHPC-phenol-C4-NH2 dihydrochloride
常用名: (S,R,S)-AHPC-phenol-C4-NH2 dihydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 0.29204863
IUPAC: (2S,4R)-N-{[2-(4-aminobutoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide dihydrochloride
IUPAC: (2S,4R)-N-{[2-(4-aminobutoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide dihydrochloride
SMILES: Cl.Cl.CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCCCN)-c1scnc1C)C(C)(C)C
SMILES: Cl.Cl.CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1OCCCCN)-c1scnc1C)C(C)(C)C
InChI key: LDWASNPVOMODPJ-OTCWRJAQSA-N
