(2S)-4-methyl-N-(4-nitrophenyl)-2-(4-sulfanylbutanoylamino)pentanamide

Systemtic Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-(4-sulfanylbutanoylamino)pentanamide Openeye Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-(4-sulfanylbutanoylamino)pentanamide CAS Name: (2S)-2-[(4-mercapto-1-oxobutyl)amino]-4-methyl-N-(4-nitrophenyl)pentanamide IUPAC Name: (2S)-4-methyl-N-(4-nitrophenyl)-2-(4-sulfanylbutanoylamino)pentanamide Traditional Name: (2S)-2-(4-mercaptobutanoylamino)-4-methyl-N-(4-nitrophenyl)valeramide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCS

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCCS

InChI

InChI=1S/C16H23N3O4S/c1-11(2)10-14(18-15(20)4-3-9-24)16(21)17-12-5-7-13(8-6-12)19(22)23/h5-8,11,14,24H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,20)/t14-/m0/s1