5-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenyl-quinazolin-6-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenyl-quinazolin-6-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(4-tert-butoxycarbonylpiperazin-1-yl)-4-phenyl-quinazolin-6-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-phenyl-6-quinazolinyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenylquinazolin-6-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(4-tert-butoxycarbonylpiperazino)-4-phenyl-quinazolin-6-yl]amino]-5-keto-valeric acid Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCCC(=O)O)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCCC(=O)O)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C28H33N5O5/c1-28(2,3)38-27(37)33-16-14-32(15-17-33)26-30-22-13-12-20(29-23(34)10-7-11-24(35)36)18-21(22)25(31-26)19-8-5-4-6-9-19/h4-6,8-9,12-13,18H,7,10-11,14-17H2,1-3H3,(H,29,34)(H,35,36)