Name: MDL-101146, (S)-
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212710935
Cas No:163660-59-1
常用名:MDL-101146, (S)-
别名:MDL101146, (S)-
IUPAC:(2S)-1-[(2S)-3-methyl-2-{[4-(morpholine-4-carbonyl)phenyl]formamido}butanoyl]-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]pyrrolidine-2-carboxamide
IUPAC:(2S)-1-[(2S)-3-methyl-2-{[4-(morpholine-4-carbonyl)phenyl]formamido}butanoyl]-N-[(3S)-5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl]pyrrolidine-2-carboxamide
InChI key:XQAMVCHQGHAELT-FKBYEOEOSA-N

分子式:C29H37F5N4O6
分子量:632.629
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:3.3110166
SMILES:CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F
SMILES:CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(F)(F)F

MDL-101146, (S)- is an effective orally active inhibitor of human neutrophil elastase.

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