2-[[2-(tert-butylsulfonylmethyl)-3-thiophen-2-yl-propanoyl]amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide

Systemtic Name: 2-[[2-(tert-butylsulfonylmethyl)-3-thiophen-2-yl-propanoyl]amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide Openeye Name: 2-[[2-(tert-butylsulfonylmethyl)-3-(2-thienyl)propanoyl]amino]-N-[1-(cyclohexylmethyl)-2-(cyclohexylmethylimino)ethyl]pentanamide CAS Name: 2-[[2-(tert-butylsulfonylmethyl)-1-oxo-3-thiophen-2-ylpropyl]amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide IUPAC Name: 2-[[2-(tert-butylsulfonylmethyl)-3-thiophen-2-ylpropanoyl]amino]-N-[1-cyclohexyl-3-(cyclohexylmethylimino)propan-2-yl]pentanamide Traditional Name: 2-[[2-(tert-butylsulfonylmethyl)-3-(2-thienyl)propanoyl]amino]-N-[1-(cyclohexylmethyl)-2-(cyclohexylmethylimino)ethyl]valeramide Formula: C33H55N3O4S2 MolecularWeight: 621.9375

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1CCCCC1)C=NCC2CCCCC2)NC(=O)C(CC3=CC=CS3)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CCCC(C(=O)NC(CC1CCCCC1)C=NCC2CCCCC2)NC(=O)C(CC3=CC=CS3)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C33H55N3O4S2/c1-5-13-30(36-31(37)27(21-29-18-12-19-41-29)24-42(39,40)33(2,3)4)32(38)35-28(20-25-14-8-6-9-15-25)23-34-22-26-16-10-7-11-17-26/h12,18-19,23,25-28,30H,5-11,13-17,20-22,24H2,1-4H3,(H,35,38)(H,36,37)