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

Systemtic Name: 4-azanyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[3-[(2-methylthiazol-4-yl)methylthio]propanoylamino]butyric acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H17N3O4S2/c1-7-14-8(6-21-7)5-20-3-2-11(17)15-9(12(18)19)4-10(13)16/h6,9H,2-5H2,1H3,(H2,13,16)(H,15,17)(H,18,19)