N-cyclohexylcyclohexanamine; (2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2R)-2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2R)-2-(benzyloxycarbonylamino)-4-methyl-valeric acid; dicyclohexylamine Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C14H19NO4.C12H23N/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t12-;/m1./s1