3-(2H-benzotriazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(2H-benzotriazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(2H-benzotriazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(2H-benzotriazol-5-yl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(2H-benzotriazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 3-(2H-benzotriazol-5-yl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid Formula: C23H25N7O4 MolecularWeight: 463.4891

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC5=NNN=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC5=NNN=C5C=C4)C(=O)O

InChI

InChI=1S/C23H25N7O4/c31-21(32)20(12-14-5-6-18-19(11-14)27-28-26-18)25-22(33)29-9-7-16(8-10-29)30-13-15-3-1-2-4-17(15)24-23(30)34/h1-6,11,16,20H,7-10,12-13H2,(H,24,34)(H,25,33)(H,31,32)(H,26,27,28)