(phenylmethyl) (2R)-3-methyl-3-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoate

Systemtic Name: (phenylmethyl) (2R)-3-methyl-3-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoate Openeye Name: benzyl (2R)-3-methyl-3-methylsulfanyl-2-(3-pyridylmethylcarbamoylamino)butanoate CAS Name: (2R)-3-methyl-3-(methylthio)-2-[[oxo-(3-pyridinylmethylamino)methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-3-methyl-3-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-3-(methylthio)-2-(3-pyridylmethylcarbamoylamino)butyric acid benzyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OCC1=CC=CC=C1)NC(=O)NCC2=CN=CC=C2)SC

Isomeric SMILES

CC(C)([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)NCC2=CN=CC=C2)SC

InChI

InChI=1S/C20H25N3O3S/c1-20(2,27-3)17(18(24)26-14-15-8-5-4-6-9-15)23-19(25)22-13-16-10-7-11-21-12-16/h4-12,17H,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1