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

Systemtic Name: (2S,3S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]valerate Formula: C11H17N4O3- MolecularWeight: 253.27768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O3/c1-3-8(2)10(11(17)18)14-9(16)4-5-15-7-12-6-13-15/h6-8,10H,3-5H2,1-2H3,(H,14,16)(H,17,18)/p-1/t8-,10-/m0/s1