4-[[2-[[4-methyl-2-(oxidanylcarbamoyl)pentanoyl]amino]ethyl-pentanoyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[2-[[4-methyl-2-(oxidanylcarbamoyl)pentanoyl]amino]ethyl-pentanoyl-amino]methyl]benzoic acid Openeye Name: 4-[[2-[[2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]ethyl-pentanoyl-amino]methyl]benzoic acid CAS Name: 4-[[2-[[2-[(hydroxyamino)-oxomethyl]-4-methyl-1-oxopentyl]amino]ethyl-(1-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2-[[2-(hydroxycarbamoyl)-4-methylpentanoyl]amino]ethyl-pentanoylamino]methyl]benzoic acid Traditional Name: 4-[[2-[[2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]ethyl-valeryl-amino]methyl]benzoic acid Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCNC(=O)C(CC(C)C)C(=O)NO)CC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CCNC(=O)C(CC(C)C)C(=O)NO)CC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C22H33N3O6/c1-4-5-6-19(26)25(14-16-7-9-17(10-8-16)22(29)30)12-11-23-20(27)18(13-15(2)3)21(28)24-31/h7-10,15,18,31H,4-6,11-14H2,1-3H3,(H,23,27)(H,24,28)(H,29,30)