methyl (2R)-4-methyl-2-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]valeric acid methyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C16H21N5O3S/c1-10(2)8-12(15(23)24-3)18-13(22)9-25-16-19-14(20-21-16)11-4-6-17-7-5-11/h4-7,10,12H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)/t12-/m1/s1