3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid; N-cyclohexylcyclohexanamine

Systemtic Name: 3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid; N-cyclohexylcyclohexanamine Openeye Name: 2-(benzyloxycarbonylamino)-3-tert-butylsulfanyl-propanoic acid; N-cyclohexylcyclohexanamine CAS Name: 3-(tert-butylthio)-2-(phenylmethoxycarbonylamino)propanoic acid; N-cyclohexylcyclohexanamine IUPAC Name: 3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid; N-cyclohexylcyclohexanamine Traditional Name: 2-(benzyloxycarbonylamino)-3-(tert-butylthio)propionic acid; dicyclohexylamine Formula: C27H44N2O4S MolecularWeight: 492.71426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C15H21NO4S.C12H23N/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2