2-[2-oxidanylidene-3-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-7-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-3-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-7-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-3-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-7-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[2-oxo-3-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]-7-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[2-oxo-3-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-7-phenylazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-7-phenyl-azepan-1-yl]acetic acid Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C(C1)C2=CC=CC=C2)CC(=O)O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CC(C(=O)N(C(C1)C2=CC=CC=C2)CC(=O)O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C28H33N5O5/c34-25(35)18-33-24(19-7-2-1-3-8-19)12-6-11-23(26(33)36)30-27(37)31-15-13-21(14-16-31)32-17-20-9-4-5-10-22(20)29-28(32)38/h1-5,7-10,21,23-24H,6,11-18H2,(H,29,38)(H,30,37)(H,34,35)