VH032-thiol-C6-NH2
HIT212080485
sdf文件结构编辑类似物检索
HIT ID: HIT212080485
Cas No: 2098836-63-4
分子式: C29H43N5O4S2
分子量: 589.81
常用名: VH032-thiol-C6-NH2
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 1.0506476
IUPAC: (2S,4R)-1-[(2R)-3-[(6-aminohexyl)sulfanyl]-2-acetamido-3-methylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC: (2S,4R)-1-[(2R)-3-[(6-aminohexyl)sulfanyl]-2-acetamido-3-methylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
SMILES: CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)SCCCCCCN
SMILES: CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)SCCCCCCN
InChI key: GRWPLYITJSUPHS-RMTZWNOUSA-N
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