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

Systemtic Name: tert-butyl (2S)-4-(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-4-(4,6-dimethyl-2-oxo-pyrimidin-1-yl)butanoate CAS Name: (2S)-4-(4,6-dimethyl-2-oxo-1-pyrimidinyl)-2-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(2-keto-4,6-dimethyl-pyrimidin-1-yl)butyric acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CCC(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C22H29N3O5/c1-15-13-16(2)25(20(27)23-15)12-11-18(19(26)30-22(3,4)5)24-21(28)29-14-17-9-7-6-8-10-17/h6-10,13,18H,11-12,14H2,1-5H3,(H,24,28)/t18-/m0/s1