2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-(1-oxidanylidene-3-phenyl-propan-2-yl)pentanamide

Systemtic Name: 2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-N-(1-oxidanylidene-3-phenyl-propan-2-yl)pentanamide Openeye Name: N-(1-benzyl-2-oxo-ethyl)-2-[(2-formamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanamide CAS Name: 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-N-(1-oxo-3-phenylpropan-2-yl)pentanamide IUPAC Name: 2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methyl-N-(1-oxo-3-phenylpropan-2-yl)pentanamide Traditional Name: N-(1-benzyl-2-keto-ethyl)-2-[[2-formamido-4-(methylthio)butanoyl]amino]-4-methyl-valeramide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(CCSC)NC=O

InChI

InChI=1S/C21H31N3O4S/c1-15(2)11-19(24-20(27)18(22-14-26)9-10-29-3)21(28)23-17(13-25)12-16-7-5-4-6-8-16/h4-8,13-15,17-19H,9-12H2,1-3H3,(H,22,26)(H,23,28)(H,24,27)