N-[N-(cyclohexylmethyl)-C-phenethyl-carbonimidoyl]-2-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]pentanamide

Systemtic Name: N-[N-(cyclohexylmethyl)-C-phenethyl-carbonimidoyl]-2-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]pentanamide Openeye Name: N-[N-(cyclohexylmethyl)-C-phenethyl-carbonimidoyl]-2-[[2-(3-methylbutanoylamino)-3-phenyl-propanoyl]amino]pentanamide CAS Name: N-[1-(cyclohexylmethylimino)-3-phenylpropyl]-2-[[2-[(3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]pentanamide IUPAC Name: N-[N-(cyclohexylmethyl)-C-phenethylcarbonimidoyl]-2-[[2-(3-methylbutanoylamino)-3-phenylpropanoyl]amino]pentanamide Traditional Name: N-[N-(cyclohexylmethyl)-C-phenethyl-carbonimidoyl]-2-[[2-(isovalerylamino)-3-phenyl-propanoyl]amino]valeramide Formula: C35H50N4O3 MolecularWeight: 574.7965

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(=NCC1CCCCC1)CCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CC(C)C

Isomeric SMILES

CCCC(C(=O)NC(=NCC1CCCCC1)CCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CC(C)C

InChI

InChI=1S/C35H50N4O3/c1-4-14-30(38-35(42)31(37-33(40)23-26(2)3)24-28-17-10-6-11-18-28)34(41)39-32(22-21-27-15-8-5-9-16-27)36-25-29-19-12-7-13-20-29/h5-6,8-11,15-18,26,29-31H,4,7,12-14,19-25H2,1-3H3,(H,37,40)(H,38,42)(H,36,39,41)