2-[(2-azanyl-3-phenyl-propanoyl)-(tert-butylcarbamothioyl)amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(tert-butylcarbamothioyl)amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(tert-butylcarbamothioyl)amino]-N-[1-(cyclohexylmethyl)-2-(cyclohexylmethylimino)ethyl]pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[(tert-butylamino)-sulfanylidenemethyl]amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(tert-butylcarbamothioyl)amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide Traditional Name: 2-[tert-butylthiocarbamoyl(phenylalanyl)amino]-N-[1-(cyclohexylmethyl)-2-(cyclohexylmethylimino)ethyl]valeramide Formula: C35H57N5O2S MolecularWeight: 611.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1CCCCC1)C=NCC2CCCCC2)N(C(=O)C(CC3=CC=CC=C3)N)C(=S)NC(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC(CC1CCCCC1)C=NCC2CCCCC2)N(C(=O)C(CC3=CC=CC=C3)N)C(=S)NC(C)(C)C

InChI

InChI=1S/C35H57N5O2S/c1-5-15-31(40(34(43)39-35(2,3)4)33(42)30(36)23-27-18-11-7-12-19-27)32(41)38-29(22-26-16-9-6-10-17-26)25-37-24-28-20-13-8-14-21-28/h7,11-12,18-19,25-26,28-31H,5-6,8-10,13-17,20-24,36H2,1-4H3,(H,38,41)(H,39,43)