2-(4-azanylbutanoylamino)-3-methyl-N-(1-oxidanyl-2-oxidanylidene-5-phenyl-pentan-3-yl)pentanamide

Systemtic Name: 2-(4-azanylbutanoylamino)-3-methyl-N-(1-oxidanyl-2-oxidanylidene-5-phenyl-pentan-3-yl)pentanamide Openeye Name: 2-(4-aminobutanoylamino)-N-(3-hydroxy-2-oxo-1-phenethyl-propyl)-3-methyl-pentanamide CAS Name: 2-[(4-amino-1-oxobutyl)amino]-N-(1-hydroxy-2-oxo-5-phenylpentan-3-yl)-3-methylpentanamide IUPAC Name: 2-(4-aminobutanoylamino)-N-(1-hydroxy-2-oxo-5-phenylpentan-3-yl)-3-methylpentanamide Traditional Name: 2-(4-aminobutanoylamino)-N-(3-hydroxy-2-keto-1-phenethyl-propyl)-3-methyl-valeramide Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)CO)NC(=O)CCCN

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)C(=O)CO)NC(=O)CCCN

InChI

InChI=1S/C21H33N3O4/c1-3-15(2)20(24-19(27)10-7-13-22)21(28)23-17(18(26)14-25)12-11-16-8-5-4-6-9-16/h4-6,8-9,15,17,20,25H,3,7,10-14,22H2,1-2H3,(H,23,28)(H,24,27)