2-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoylamino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[3-[(2-methylthiazol-4-yl)methylthio]propanoylamino]acetyl]amino]acetic acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C12H17N3O4S2/c1-8-15-9(7-21-8)6-20-3-2-10(16)13-4-11(17)14-5-12(18)19/h7H,2-6H2,1H3,(H,13,16)(H,14,17)(H,18,19)