3-(7-ethyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(7-ethyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(7-ethyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(7-ethyl-1H-indazol-5-yl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(7-ethyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 3-(7-ethyl-1H-indazol-5-yl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)CC(C(=O)O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C=NN2

Isomeric SMILES

CCC1=C2C(=CC(=C1)CC(C(=O)O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C=NN2

InChI

InChI=1S/C26H30N6O4/c1-2-17-11-16(12-19-14-27-30-23(17)19)13-22(24(33)34)29-25(35)31-9-7-20(8-10-31)32-15-18-5-3-4-6-21(18)28-26(32)36/h3-6,11-12,14,20,22H,2,7-10,13,15H2,1H3,(H,27,30)(H,28,36)(H,29,35)(H,33,34)