2-azanyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2-methyl-4-thiazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-methylthiazol-4-yl)methylthio]propionic acid Formula: C8H12N2O2S2 MolecularWeight: 232.32308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(C(=O)O)N

Isomeric SMILES

CC1=NC(=CS1)CSCC(C(=O)O)N

InChI

InChI=1S/C8H12N2O2S2/c1-5-10-6(3-14-5)2-13-4-7(9)8(11)12/h3,7H,2,4,9H2,1H3,(H,11,12)