tert-butyl (2S)-2-(phenylmethoxycarbonylamino)-4-(4,5,6-trimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoate

Systemtic Name: tert-butyl (2S)-2-(phenylmethoxycarbonylamino)-4-(4,5,6-trimethyl-2-oxidanylidene-pyrimidin-1-yl)butanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-4-(4,5,6-trimethyl-2-oxo-pyrimidin-1-yl)butanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-4-(4,5,6-trimethyl-2-oxo-1-pyrimidinyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(phenylmethoxycarbonylamino)-4-(4,5,6-trimethyl-2-oxopyrimidin-1-yl)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(2-keto-4,5,6-trimethyl-pyrimidin-1-yl)butyric acid tert-butyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N=C1C)CCC(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N(C(=O)N=C1C)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C23H31N3O5/c1-15-16(2)24-21(28)26(17(15)3)13-12-19(20(27)31-23(4,5)6)25-22(29)30-14-18-10-8-7-9-11-18/h7-11,19H,12-14H2,1-6H3,(H,25,29)/t19-/m0/s1