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

Systemtic Name: 3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Openeye Name: 3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-4-methyl-1-oxopentyl]amino]benzoic acid IUPAC Name: 3-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]benzoic acid Traditional Name: 3-[[2-(mercaptomethyl)-4-methyl-pentanoyl]amino]benzoic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS)C(=O)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CC(CS)C(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C14H19NO3S/c1-9(2)6-11(8-19)13(16)15-12-5-3-4-10(7-12)14(17)18/h3-5,7,9,11,19H,6,8H2,1-2H3,(H,15,16)(H,17,18)