N-cyclohexylcyclohexanamine; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-[(4-nitrophenyl)methoxy]-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(4-nitrophenyl)methoxy]-5-oxopentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-5-keto-5-(4-nitrobenzyl)oxy-valeric acid; dicyclohexylamine Formula: C29H45N3O8 MolecularWeight: 563.6829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C17H22N2O8.C12H23N/c1-17(2,3)27-16(23)18-13(15(21)22)8-9-14(20)26-10-11-4-6-12(7-5-11)19(24)25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,13H,8-10H2,1-3H3,(H,18,23)(H,21,22);11-13H,1-10H2