cyclohexanamine; (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: cyclohexanamine; (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoic acid; cyclohexanamine CAS Name: cyclohexanamine; (2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: cyclohexanamine; (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoic acid; cyclohexylamine Formula: C25H41N3O6 MolecularWeight: 479.60954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)N

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6.C6H13N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;7-6-4-2-1-3-5-6/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);6H,1-5,7H2/t15-;/m0./s1