4-methylsulfanyl-2-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[(5-methylthiophen-2-yl)carbonylamino]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]butyric acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H18N2O4S2/c1-8-3-4-10(21-8)12(17)14-7-11(16)15-9(13(18)19)5-6-20-2/h3-4,9H,5-7H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)