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

Systemtic Name: (2S)-3-methyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]butyrate Formula: C9H13N4O3- MolecularWeight: 225.22452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O3/c1-6(2)8(9(15)16)12-7(14)3-13-5-10-4-11-13/h4-6,8H,3H2,1-2H3,(H,12,14)(H,15,16)/p-1/t8-/m0/s1