2-[2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-methyl-5-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-methyl-5-(methylthio)benzoyl]amino]acetyl]amino]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8-3-4-9(20-2)5-10(8)13(19)15-6-11(16)14-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)