2-[[2-[4-methyl-2-(sulfanylmethyl)pentanoyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[4-methyl-2-(sulfanylmethyl)pentanoyl]phenyl]amino]ethanoic acid Openeye Name: 2-[2-[4-methyl-2-(sulfanylmethyl)pentanoyl]anilino]acetic acid CAS Name: 2-[2-[2-(mercaptomethyl)-4-methyl-1-oxopentyl]anilino]acetic acid IUPAC Name: 2-[2-[4-methyl-2-(sulfanylmethyl)pentanoyl]anilino]acetic acid Traditional Name: 2-[2-[2-(mercaptomethyl)-4-methyl-pentanoyl]anilino]acetic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CS)C(=O)C1=CC=CC=C1NCC(=O)O

Isomeric SMILES

CC(C)CC(CS)C(=O)C1=CC=CC=C1NCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-10(2)7-11(9-20)15(19)12-5-3-4-6-13(12)16-8-14(17)18/h3-6,10-11,16,20H,7-9H2,1-2H3,(H,17,18)