(2S)-4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butyrate Formula: C10H15N4O3S- MolecularWeight: 271.3161

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CCN1C=NC=N1

Isomeric SMILES

CSCC[C@@H](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)/p-1/t8-/m0/s1