tert-butyl (2S)-4-(6-methyl-2-oxidanylidene-4-phenyl-pyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: tert-butyl (2S)-4-(6-methyl-2-oxidanylidene-4-phenyl-pyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-4-(6-methyl-2-oxo-4-phenyl-pyrimidin-1-yl)butanoate CAS Name: (2S)-4-(6-methyl-2-oxo-4-phenyl-1-pyrimidinyl)-2-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(6-methyl-2-oxo-4-phenylpyrimidin-1-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-(2-keto-6-methyl-4-phenyl-pyrimidin-1-yl)butyric acid tert-butyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31N3O5/c1-19-17-23(21-13-9-6-10-14-21)28-25(32)30(19)16-15-22(24(31)35-27(2,3)4)29-26(33)34-18-20-11-7-5-8-12-20/h5-14,17,22H,15-16,18H2,1-4H3,(H,29,33)/t22-/m0/s1