(2S,3S)-3-oxidanyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]butanoate

Systemtic Name: (2S,3S)-3-oxidanyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butyrate Formula: C8H11N4O4- MolecularWeight: 227.19734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)CN1C=NC=N1)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)CN1C=NC=N1)O

InChI

InChI=1S/C8H12N4O4/c1-5(13)7(8(15)16)11-6(14)2-12-4-9-3-10-12/h3-5,7,13H,2H2,1H3,(H,11,14)(H,15,16)/p-1/t5-,7-/m0/s1