methyl (2R)-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-hydroxy-propanoate CAS Name: (2R)-2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-3-hydroxypropanoate Traditional Name: (2R)-2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N[C@H](CO)C(=O)OC

InChI

InChI=1S/C14H21N3O4S/c1-8-10(9(2)16-14(15-8)22-4)5-6-12(19)17-11(7-18)13(20)21-3/h11,18H,5-7H2,1-4H3,(H,17,19)/t11-/m1/s1