methyl (2S)-3-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-(2-pyrimidin-2-ylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(2-pyrimidylthio)acetyl]amino]propionic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H17N3O3S/c1-22-15(21)13(10-12-6-3-2-4-7-12)19-14(20)11-23-16-17-8-5-9-18-16/h2-9,13H,10-11H2,1H3,(H,19,20)/t13-/m0/s1