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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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