3-methyl-2-[(2-sulfanylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(2-sulfanylphenyl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(2-sulfanylbenzoyl)amino]pentanoic acid CAS Name: 2-[[(2-mercaptophenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 3-methyl-2-[(2-sulfanylbenzoyl)amino]pentanoic acid Traditional Name: 2-[(2-mercaptobenzoyl)amino]-3-methyl-valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1S

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1S

InChI

InChI=1S/C13H17NO3S/c1-3-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18/h4-8,11,18H,3H2,1-2H3,(H,14,15)(H,16,17)