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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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