[4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-propyl-cyclohexyl]carbamic acid

Systemtic Name: [4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-propyl-cyclohexyl]carbamic acid Openeye Name: [4-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-propyl-cyclohexyl]carbamic acid CAS Name: [4-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-propylcyclohexyl]carbamic acid IUPAC Name: [4-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-propylcyclohexyl]carbamic acid Traditional Name: [4-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-propyl-cyclohexyl]carbamic acid Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(CCC1NC(=O)C(CCSC)NC(=O)OCC2=CC=CC=C2)NC(=O)O

Isomeric SMILES

CCCC1CC(CCC1NC(=O)C(CCSC)NC(=O)OCC2=CC=CC=C2)NC(=O)O

InChI

InChI=1S/C23H35N3O5S/c1-3-7-17-14-18(24-22(28)29)10-11-19(17)25-21(27)20(12-13-32-2)26-23(30)31-15-16-8-5-4-6-9-16/h4-6,8-9,17-20,24H,3,7,10-15H2,1-2H3,(H,25,27)(H,26,30)(H,28,29)