2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-(4-nitrophenyl)pentanamide

Systemtic Name: 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-(4-nitrophenyl)pentanamide Openeye Name: 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-(4-nitrophenyl)pentanamide CAS Name: 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide IUPAC Name: 2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methyl-N-(4-nitrophenyl)pentanamide Traditional Name: 2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-N-(4-nitrophenyl)valeramide Formula: C18H26N4O5S MolecularWeight: 410.48784

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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)C(CCSC)NC=O

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5S/c1-12(2)10-16(21-17(24)15(19-11-23)8-9-28-3)18(25)20-13-4-6-14(7-5-13)22(26)27/h4-7,11-12,15-16H,8-10H2,1-3H3,(H,19,23)(H,20,25)(H,21,24)