4-[2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 4-[2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanylacetyl]amino]butanoic acid CAS Name: 4-[[2-[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]acetyl]amino]butyric acid Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)NCCCC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)NCCCC(=O)O)CC(=O)O

InChI

InChI=1S/C12H16N2O5S2/c1-7-8(5-11(18)19)21-12(14-7)20-6-9(15)13-4-2-3-10(16)17/h2-6H2,1H3,(H,13,15)(H,16,17)(H,18,19)