3-[1-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]piperidin-2-yl]-2-oxidanylidene-1,4-dihydroquinazoline-7-carboxylic acid

Systemtic Name: 3-[1-[1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(oxidanylidenemethylidene)-4-pyridin-4-yl-piperidin-3-yl]piperidin-2-yl]-2-oxidanylidene-1,4-dihydroquinazoline-7-carboxylic acid Openeye Name: 3-[1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(oxomethylene)-4-(4-pyridyl)-3-piperidyl]-2-piperidyl]-2-oxo-1,4-dihydroquinazoline-7-carboxylic acid CAS Name: 3-[1-[1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-(oxomethylidene)-4-pyridin-4-yl-3-piperidinyl]-2-piperidinyl]-2-oxo-1,4-dihydroquinazoline-7-carboxylic acid IUPAC Name: 3-[1-[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(oxomethylidene)-4-pyridin-4-ylpiperidin-3-yl]piperidin-2-yl]-2-oxo-1,4-dihydroquinazoline-7-carboxylic acid Traditional Name: 2-keto-3-[1-[2-(ketomethylene)-4-(4-pyridyl)-1-tyrosyl-3-piperidyl]-2-piperidyl]-1,4-dihydroquinazoline-7-carboxylic acid Formula: C34H36N6O6 MolecularWeight: 624.68624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N2CC3=C(C=C(C=C3)C(=O)O)NC2=O)C4C(CCN(C4=C=O)C(=O)C(CC5=CC=C(C=C5)O)N)C6=CC=NC=C6

Isomeric SMILES

C1CCN(C(C1)N2CC3=C(C=C(C=C3)C(=O)O)NC2=O)C4C(CCN(C4=C=O)C(=O)C(CC5=CC=C(C=C5)O)N)C6=CC=NC=C6

InChI

InChI=1S/C34H36N6O6/c35-27(17-21-4-8-25(42)9-5-21)32(43)38-16-12-26(22-10-13-36-14-11-22)31(29(38)20-41)39-15-2-1-3-30(39)40-19-24-7-6-23(33(44)45)18-28(24)37-34(40)46/h4-11,13-14,18,26-27,30-31,42H,1-3,12,15-17,19,35H2,(H,37,46)(H,44,45)