(2S,3S)-2-benzamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate

Systemtic Name: (2S,3S)-2-benzamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate Openeye Name: (2S,3S)-2-benzamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate CAS Name: (2S,3S)-2-benzamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate IUPAC Name: (2S,3S)-2-benzamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)pentanimidate Traditional Name: (2S,3S)-2-benzamido-3-methyl-N-(1H-1,2,4-triazol-5-yl)valerimidate Formula: C15H18N5O2- MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=NC1=NC=NN1)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=NC1=NC=NN1)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H19N5O2/c1-3-10(2)12(14(22)19-15-16-9-17-20-15)18-13(21)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)/p-1/t10-,12-/m0/s1