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

Systemtic Name: 2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-3-(7-propan-2-yl-1H-indazol-5-yl)propanoic acid Openeye Name: 3-(7-isopropyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]-3-(7-propan-2-yl-1H-indazol-5-yl)propanoic acid IUPAC Name: 2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-(7-propan-2-yl-1H-indazol-5-yl)propanoic acid Traditional Name: 3-(7-isopropyl-1H-indazol-5-yl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O4/c1-16(2)21-12-17(11-19-14-28-31-24(19)21)13-23(25(34)35)30-26(36)32-9-7-20(8-10-32)33-15-18-5-3-4-6-22(18)29-27(33)37/h3-6,11-12,14,16,20,23H,7-10,13,15H2,1-2H3,(H,28,31)(H,29,37)(H,30,36)(H,34,35)