(2S,4S)-4-[2-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-[2-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-tert-butoxycarbonyl-4-[[2-(2-ethyl-4-oxo-quinazolin-3-yl)acetyl]amino]pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-[[2-(2-ethyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-[[2-(2-ethyl-4-oxoquinazolin-3-yl)acetyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-tert-butoxycarbonyl-4-[[2-(2-ethyl-4-keto-quinazolin-3-yl)acetyl]amino]proline Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC3CC(N(C3)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1CC(=O)N[C@H]3C[C@H](N(C3)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C22H28N4O6/c1-5-17-24-15-9-7-6-8-14(15)19(28)26(17)12-18(27)23-13-10-16(20(29)30)25(11-13)21(31)32-22(2,3)4/h6-9,13,16H,5,10-12H2,1-4H3,(H,23,27)(H,29,30)/t13-,16-/m0/s1