2-azanyl-N-[1-(hexanoylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-pentanamide

Systemtic Name: 2-azanyl-N-[1-(hexanoylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(hexanoylamino)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: 2-amino-4-methyl-N-[1-oxo-1-(1-oxohexylamino)-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-amino-N-[1-(hexanoylamino)-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide Traditional Name: 2-amino-N-[1-benzyl-2-(caproylamino)-2-keto-ethyl]-4-methyl-valeramide Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-4-5-7-12-19(25)24-21(27)18(14-16-10-8-6-9-11-16)23-20(26)17(22)13-15(2)3/h6,8-11,15,17-18H,4-5,7,12-14,22H2,1-3H3,(H,23,26)(H,24,25,27)