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

Systemtic Name: tert-butyl (2S)-4-(5-ethyl-4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-4-(5-ethyl-4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanoate CAS Name: (2S)-4-(5-ethyl-4,6-dimethyl-2-oxo-1-pyrimidinyl)-2-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(5-ethyl-4,6-dimethyl-2-oxopyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(5-ethyl-2-keto-4,6-dimethyl-pyrimidin-1-yl)butyric acid tert-butyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)N=C1C)CCC(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=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/C24H33N3O5/c1-7-19-16(2)25-22(29)27(17(19)3)14-13-20(21(28)32-24(4,5)6)26-23(30)31-15-18-11-9-8-10-12-18/h8-12,20H,7,13-15H2,1-6H3,(H,26,30)/t20-/m0/s1