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

Systemtic Name: 2-[[2-[(4-bromophenyl)methyl]-3-(oxidanylamino)-3-oxidanylidene-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(4-bromophenyl)methyl]-3-(hydroxyamino)-3-oxo-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(4-bromophenyl)methyl]-3-(hydroxyamino)-1,3-dioxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(4-bromophenyl)methyl]-3-(hydroxyamino)-3-oxopropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(4-bromobenzyl)-3-(hydroxyamino)-3-keto-propanoyl]amino]-4-methyl-valeric acid Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)Br)C(=O)NO

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)Br)C(=O)NO

InChI

InChI=1S/C16H21BrN2O5/c1-9(2)7-13(16(22)23)18-14(20)12(15(21)19-24)8-10-3-5-11(17)6-4-10/h3-6,9,12-13,24H,7-8H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)