4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butyric acid Formula: C10H16N4O3S MolecularWeight: 272.32404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C=NC=N1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCN1C=NC=N1

InChI

InChI=1S/C10H16N4O3S/c1-18-5-3-8(10(16)17)13-9(15)2-4-14-7-11-6-12-14/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)