4-azanyl-3-[[methyl-(4-methyl-2-oxidanyl-pentanoyl)amino]methyl]benzoic acid

Systemtic Name: 4-azanyl-3-[[methyl-(4-methyl-2-oxidanyl-pentanoyl)amino]methyl]benzoic acid Openeye Name: 4-amino-3-[[(2-hydroxy-4-methyl-pentanoyl)-methyl-amino]methyl]benzoic acid CAS Name: 4-amino-3-[[(2-hydroxy-4-methyl-1-oxopentyl)-methylamino]methyl]benzoic acid IUPAC Name: 4-amino-3-[[(2-hydroxy-4-methylpentanoyl)-methylamino]methyl]benzoic acid Traditional Name: 4-amino-3-[[(2-hydroxy-4-methyl-pentanoyl)-methyl-amino]methyl]benzoic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)CC1=C(C=CC(=C1)C(=O)O)N)O

Isomeric SMILES

CC(C)CC(C(=O)N(C)CC1=C(C=CC(=C1)C(=O)O)N)O

InChI

InChI=1S/C15H22N2O4/c1-9(2)6-13(18)14(19)17(3)8-11-7-10(15(20)21)4-5-12(11)16/h4-5,7,9,13,18H,6,8,16H2,1-3H3,(H,20,21)