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

Systemtic Name: 2-azanyl-N-[1-(hexanoylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(hexanoylamino)-2-oxo-ethyl]-N-[(4-benzyloxyphenyl)methyl]-4-methyl-pentanamide CAS Name: 2-amino-4-methyl-N-[1-oxo-1-(1-oxohexylamino)-3-phenylpropan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]pentanamide IUPAC Name: 2-amino-N-[1-(hexanoylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]pentanamide Traditional Name: 2-amino-N-(4-benzoxybenzyl)-N-[1-benzyl-2-(caproylamino)-2-keto-ethyl]-4-methyl-valeramide Formula: C35H45N3O4 MolecularWeight: 571.7495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=O)C(CC1=CC=CC=C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)C(CC(C)C)N

Isomeric SMILES

CCCCCC(=O)NC(=O)C(CC1=CC=CC=C1)N(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)C(CC(C)C)N

InChI

InChI=1S/C35H45N3O4/c1-4-5-8-17-33(39)37-34(40)32(23-27-13-9-6-10-14-27)38(35(41)31(36)22-26(2)3)24-28-18-20-30(21-19-28)42-25-29-15-11-7-12-16-29/h6-7,9-16,18-21,26,31-32H,4-5,8,17,22-25,36H2,1-3H3,(H,37,39,40)