tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylsulfanylpyrimidin-4-yl)propanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylsulfanylpyrimidin-4-yl)propanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-(2-methylsulfanylpyrimidin-4-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[2-(methylthio)-4-pyrimidinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylsulfanylpyrimidin-4-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[2-(methylthio)pyrimidin-4-yl]propionic acid tert-butyl ester Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=NC(=NC=C1)SC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=NC(=NC=C1)SC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H27N3O4S/c1-16(2,3)23-13(21)12(20-15(22)24-17(4,5)6)10-11-8-9-18-14(19-11)25-7/h8-9,12H,10H2,1-7H3,(H,20,22)/t12-/m0/s1