N-cyclohexylcyclohexanamine; 2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-sulfanyl-propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 3-mercapto-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-mercapto-propionic acid; dicyclohexylamine Formula: C23H36N2O4S MolecularWeight: 436.60794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)NC(CS)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)NC(CS)C(=O)O

InChI

InChI=1S/C12H23N.C11H13NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;13-10(14)9(7-17)12-11(15)16-6-8-4-2-1-3-5-8/h11-13H,1-10H2;1-5,9,17H,6-7H2,(H,12,15)(H,13,14)