2-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methyl-N-(3-oxidanylidenebutan-2-yl)butanamide

Systemtic Name: 2-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methyl-N-(3-oxidanylidenebutan-2-yl)butanamide Openeye Name: 2-[[2-acetamido-3-(p-tolyl)propanoyl]amino]-3-methyl-N-(1-methyl-2-oxo-propyl)butanamide CAS Name: 2-[[2-acetamido-3-(4-methylphenyl)-1-oxopropyl]amino]-3-methyl-N-(3-oxobutan-2-yl)butanamide IUPAC Name: 2-[[2-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-methyl-N-(3-oxobutan-2-yl)butanamide Traditional Name: 2-[[2-acetamido-3-(p-tolyl)propanoyl]amino]-N-(2-keto-1-methyl-propyl)-3-methyl-butyramide Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-12(2)19(21(28)22-14(4)15(5)25)24-20(27)18(23-16(6)26)11-17-9-7-13(3)8-10-17/h7-10,12,14,18-19H,11H2,1-6H3,(H,22,28)(H,23,26)(H,24,27)