3-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[3-[(methylthio)methyl]benzoyl]amino]valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-4-10(2)13(15(18)19)16-14(17)12-7-5-6-11(8-12)9-20-3/h5-8,10,13H,4,9H2,1-3H3,(H,16,17)(H,18,19)