4-methyl-2-[(3-sulfophenyl)carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(3-sulfophenyl)carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(3-sulfobenzoyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-(3-sulfophenyl)methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(3-sulfobenzoyl)amino]pentanoic acid Traditional Name: 4-methyl-2-[(3-sulfobenzoyl)amino]valeric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C13H17NO6S/c1-8(2)6-11(13(16)17)14-12(15)9-4-3-5-10(7-9)21(18,19)20/h3-5,7-8,11H,6H2,1-2H3,(H,14,15)(H,16,17)(H,18,19,20)