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

Systemtic Name: (2S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Traditional Name: (2S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butyrate Formula: C10H15N4O3- MolecularWeight: 239.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCN1C=NC=N1

InChI

InChI=1S/C10H16N4O3/c1-7(2)9(10(16)17)13-8(15)3-4-14-6-11-5-12-14/h5-7,9H,3-4H2,1-2H3,(H,13,15)(H,16,17)/p-1/t9-/m0/s1