4-(2-decoxyethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-decoxyethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-(2-decoxyethylamino)-4-oxo-butanoic acid CAS Name: 4-(2-decoxyethylamino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(2-decoxyethylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-(2-decoxyethylamino)-4-keto-butyric acid Formula: C21H40N2O6 MolecularWeight: 416.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCCNC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCOCCNC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H40N2O6/c1-5-6-7-8-9-10-11-12-14-28-15-13-22-19(26)17(16-18(24)25)23-20(27)29-21(2,3)4/h17H,5-16H2,1-4H3,(H,22,26)(H,23,27)(H,24,25)