N-(1-chloranyl-2-oxidanylidene-heptan-3-yl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide

Systemtic Name: N-(1-chloranyl-2-oxidanylidene-heptan-3-yl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide Openeye Name: N-[1-(2-chloroacetyl)pentyl]-4-methyl-2-(4-phenylbutanoylamino)pentanamide CAS Name: N-(1-chloro-2-oxoheptan-3-yl)-4-methyl-2-[(1-oxo-4-phenylbutyl)amino]pentanamide IUPAC Name: N-(1-chloro-2-oxoheptan-3-yl)-4-methyl-2-(4-phenylbutanoylamino)pentanamide Traditional Name: N-[1-(2-chloroacetyl)pentyl]-4-methyl-2-(4-phenylbutanoylamino)valeramide Formula: C23H35ClN2O3 MolecularWeight: 422.9886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CCl)NC(=O)C(CC(C)C)NC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)CCl)NC(=O)C(CC(C)C)NC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C23H35ClN2O3/c1-4-5-13-19(21(27)16-24)26-23(29)20(15-17(2)3)25-22(28)14-9-12-18-10-7-6-8-11-18/h6-8,10-11,17,19-20H,4-5,9,12-16H2,1-3H3,(H,25,28)(H,26,29)