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

Systemtic Name: (2S,3S)-3-methyl-2-[2-(1,2,4-triazol-1-yl)ethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]valerate Formula: C10H15N4O3- MolecularWeight: 239.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N4O3/c1-3-7(2)9(10(16)17)13-8(15)4-14-6-11-5-12-14/h5-7,9H,3-4H2,1-2H3,(H,13,15)(H,16,17)/p-1/t7-,9-/m0/s1