3-(3-methylbutylcarbamoylamino)-3-(4-nitrophenyl)-5-oxidanyl-pentanoic acid

Systemtic Name: 3-(3-methylbutylcarbamoylamino)-3-(4-nitrophenyl)-5-oxidanyl-pentanoic acid Openeye Name: 5-hydroxy-3-(isopentylcarbamoylamino)-3-(4-nitrophenyl)pentanoic acid CAS Name: 5-hydroxy-3-[[(3-methylbutylamino)-oxomethyl]amino]-3-(4-nitrophenyl)pentanoic acid IUPAC Name: 5-hydroxy-3-(3-methylbutylcarbamoylamino)-3-(4-nitrophenyl)pentanoic acid Traditional Name: 5-hydroxy-3-(isoamylcarbamoylamino)-3-(4-nitrophenyl)valeric acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CCO)(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)NC(CCO)(CC(=O)O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6/c1-12(2)7-9-18-16(24)19-17(8-10-21,11-15(22)23)13-3-5-14(6-4-13)20(25)26/h3-6,12,21H,7-11H2,1-2H3,(H,22,23)(H2,18,19,24)