5-ethoxy-2-(2-methylpropylcarbamoylamino)-2-[(4-nitrophenyl)methyl]-4-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-ethoxy-2-(2-methylpropylcarbamoylamino)-2-[(4-nitrophenyl)methyl]-4-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-ethoxy-4-hydroxy-2-(isobutylcarbamoylamino)-2-[(4-nitrophenyl)methyl]-5-oxo-pentanoic acid CAS Name: 5-ethoxy-4-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-[(4-nitrophenyl)methyl]-5-oxopentanoic acid IUPAC Name: 5-ethoxy-4-hydroxy-2-(2-methylpropylcarbamoylamino)-2-[(4-nitrophenyl)methyl]-5-oxopentanoic acid Traditional Name: 5-ethoxy-4-hydroxy-2-(isobutylcarbamoylamino)-5-keto-2-(4-nitrobenzyl)valeric acid Formula: C19H27N3O8 MolecularWeight: 425.43298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)O)NC(=O)NCC(C)C)O

Isomeric SMILES

CCOC(=O)C(CC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)O)NC(=O)NCC(C)C)O

InChI

InChI=1S/C19H27N3O8/c1-4-30-16(24)15(23)10-19(17(25)26,21-18(27)20-11-12(2)3)9-13-5-7-14(8-6-13)22(28)29/h5-8,12,15,23H,4,9-11H2,1-3H3,(H,25,26)(H2,20,21,27)