[2-(2-methoxyquinolin-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-decanoate

Systemtic Name: [2-(2-methoxyquinolin-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-decanoate Openeye Name: [2-(2-methoxy-3-quinolyl)-2-oxo-ethyl] (2S)-2-(tert-butoxycarbonylamino)-8-oxo-decanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxodecanoic acid [2-(2-methoxy-3-quinolinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyquinolin-3-yl)-2-oxoethyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxodecanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-8-keto-capric acid [2-keto-2-(2-methoxy-3-quinolyl)ethyl] ester Formula: C27H36N2O7 MolecularWeight: 500.58394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCCCCC(C(=O)OCC(=O)C1=CC2=CC=CC=C2N=C1OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)CCCCC[C@@H](C(=O)OCC(=O)C1=CC2=CC=CC=C2N=C1OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N2O7/c1-6-19(30)13-8-7-9-15-22(29-26(33)36-27(2,3)4)25(32)35-17-23(31)20-16-18-12-10-11-14-21(18)28-24(20)34-5/h10-12,14,16,22H,6-9,13,15,17H2,1-5H3,(H,29,33)/t22-/m0/s1