4-methyl-2-[[2-[(4-nitrophenyl)methyl]-3-(oxidanylamino)-3-oxidanylidene-propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-[(4-nitrophenyl)methyl]-3-(oxidanylamino)-3-oxidanylidene-propanoyl]amino]pentanoic acid Openeye Name: 2-[[3-(hydroxyamino)-2-[(4-nitrophenyl)methyl]-3-oxo-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(hydroxyamino)-2-[(4-nitrophenyl)methyl]-1,3-dioxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(hydroxyamino)-2-[(4-nitrophenyl)methyl]-3-oxopropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(hydroxyamino)-3-keto-2-(4-nitrobenzyl)propanoyl]amino]-4-methyl-valeric acid Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NO

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NO

InChI

InChI=1S/C16H21N3O7/c1-9(2)7-13(16(22)23)17-14(20)12(15(21)18-24)8-10-3-5-11(6-4-10)19(25)26/h3-6,9,12-13,24H,7-8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)