tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)propanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-oxidanylidene-2-phenyl-1H-pyrimidin-5-yl)propanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-(6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-oxo-2-phenyl-1H-pyrimidin-5-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(6-keto-2-phenyl-1H-pyrimidin-5-yl)propionic acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CN=C(NC1=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CN=C(NC1=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O5/c1-21(2,3)29-19(27)16(24-20(28)30-22(4,5)6)12-15-13-23-17(25-18(15)26)14-10-8-7-9-11-14/h7-11,13,16H,12H2,1-6H3,(H,24,28)(H,23,25,26)/t16-/m0/s1