[(1S)-1-pyridin-4-ylethyl] 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoate

Systemtic Name: [(1S)-1-pyridin-4-ylethyl] 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoate Openeye Name: [(1S)-1-(4-pyridyl)ethyl] 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate 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 [(1S)-1-pyridin-4-ylethyl] ester IUPAC Name: [(1S)-1-pyridin-4-ylethyl] 3-(7-methyl-1H-indazol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoate Traditional Name: 2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-(7-methyl-1H-indazol-5-yl)propionic acid [(1S)-1-(4-pyridyl)ethyl] ester Formula: C32H35N7O4 MolecularWeight: 581.6648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C(=O)OC(C)C3=CC=NC=C3)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C=NN2

Isomeric SMILES

CC1=C2C(=CC(=C1)CC(C(=O)O[C@@H](C)C3=CC=NC=C3)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O)C=NN2

InChI

InChI=1S/C32H35N7O4/c1-20-15-22(16-25-18-34-37-29(20)25)17-28(30(40)43-21(2)23-7-11-33-12-8-23)36-31(41)38-13-9-26(10-14-38)39-19-24-5-3-4-6-27(24)35-32(39)42/h3-8,11-12,15-16,18,21,26,28H,9-10,13-14,17,19H2,1-2H3,(H,34,37)(H,35,42)(H,36,41)/t21-,28?/m0/s1