methyl (2S,3R)-3-methyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]pentanoate

Systemtic Name: methyl (2S,3R)-3-methyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]pentanoate Openeye Name: methyl (2S,3R)-3-methyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-methyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]pentanoate Traditional Name: (2S,3R)-3-methyl-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]valeric acid methyl ester Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=NN1

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC)NC(=O)CSC1=NC=NN1

InChI

InChI=1S/C11H18N4O3S/c1-4-7(2)9(10(17)18-3)14-8(16)5-19-11-12-6-13-15-11/h6-7,9H,4-5H2,1-3H3,(H,14,16)(H,12,13,15)/t7-,9+/m1/s1