N-cyclohexylcyclohexanamine; 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]butanedioic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butanedioic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanedioic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]succinic acid; dicyclohexylamine Formula: C27H41N3O7 MolecularWeight: 519.63034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O7.C12H23N/c1-9(13(20)17-11(14(21)22)7-12(18)19)16-15(23)24-8-10-5-3-2-4-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,9,11H,7-8H2,1H3,(H,16,23)(H,17,20)(H,18,19)(H,21,22);11-13H,1-10H2