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

Systemtic Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-3,4-dihydroquinazolin-1-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-3,4-dihydroquinazolin-1-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[oxo-[4-(2-oxo-3,4-dihydroquinazolin-1-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-3,4-dihydroquinazolin-1-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 2-[[4-(2-keto-3,4-dihydroquinazolin-1-yl)piperidine-1-carbonyl]amino]-3-(7-methyl-1H-indazol-5-yl)propionic acid Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C(=O)O)NC(=O)N3CCC(CC3)N4C5=CC=CC=C5CNC4=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(C(=O)O)NC(=O)N3CCC(CC3)N4C5=CC=CC=C5CNC4=O)C=NN2

InChI

InChI=1S/C25H28N6O4/c1-15-10-16(11-18-14-27-29-22(15)18)12-20(23(32)33)28-25(35)30-8-6-19(7-9-30)31-21-5-3-2-4-17(21)13-26-24(31)34/h2-5,10-11,14,19-20H,6-9,12-13H2,1H3,(H,26,34)(H,27,29)(H,28,35)(H,32,33)