7-azanyl-3-[(2-methyl-5-oxidanylidene-hexanoyl)amino]-2-oxidanylidene-N-(phenylmethyl)heptanamide

Systemtic Name: 7-azanyl-3-[(2-methyl-5-oxidanylidene-hexanoyl)amino]-2-oxidanylidene-N-(phenylmethyl)heptanamide Openeye Name: 7-amino-N-benzyl-3-[(2-methyl-5-oxo-hexanoyl)amino]-2-oxo-heptanamide CAS Name: 7-amino-3-[(2-methyl-1,5-dioxohexyl)amino]-2-oxo-N-(phenylmethyl)heptanamide IUPAC Name: 7-amino-N-benzyl-3-[(2-methyl-5-oxohexanoyl)amino]-2-oxoheptanamide Traditional Name: 7-amino-N-benzyl-2-keto-3-[(5-keto-2-methyl-hexanoyl)amino]enanthamide Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)C)C(=O)NC(CCCCN)C(=O)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(CCC(=O)C)C(=O)NC(CCCCN)C(=O)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O4/c1-15(11-12-16(2)25)20(27)24-18(10-6-7-13-22)19(26)21(28)23-14-17-8-4-3-5-9-17/h3-5,8-9,15,18H,6-7,10-14,22H2,1-2H3,(H,23,28)(H,24,27)