N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)butanedioic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanedioic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)succinic acid; dicyclohexylamine Formula: C33H61N3O6 MolecularWeight: 595.85394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/2C12H23N.C9H15NO6/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h2*11-13H,1-10H2;5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t;;5-/m..0/s1