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

Systemtic Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 2-[[4-(2-keto-1,4-dihydroquinazolin-3-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)N4CC5=CC=CC=C5NC4=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(C(=O)O)NC(=O)N3CCC(CC3)N4CC5=CC=CC=C5NC4=O)C=NN2

InChI

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