N-cyclohexylcyclohexanamine; (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)pent-4-ynoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentynoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)pent-4-ynoic acid; dicyclohexylamine Formula: C22H38N2O4 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C10H15NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;1,7H,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.1/s1