N-cyclohexylcyclohexanamine; (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (3S)-6-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)hexanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (3S)-6-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)hexanoic acid; dicyclohexylamine Formula: C31H51N3O6 MolecularWeight: 561.75314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6.C12H23N/c1-19(2,3)27-18(25)21-15(12-16(22)23)10-7-11-20-17(24)26-13-14-8-5-4-6-9-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1