3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propanoic acid Openeye Name: 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 3-(3-cyano-1H-indol-5-yl)-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid Traditional Name: 3-(3-cyano-1H-indol-5-yl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid Formula: C26H26N6O4 MolecularWeight: 486.52244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC5=C(C=C4)NC=C5C#N)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC5=C(C=C4)NC=C5C#N)C(=O)O

InChI

InChI=1S/C26H26N6O4/c27-13-18-14-28-22-6-5-16(11-20(18)22)12-23(24(33)34)30-25(35)31-9-7-19(8-10-31)32-15-17-3-1-2-4-21(17)29-26(32)36/h1-6,11,14,19,23,28H,7-10,12,15H2,(H,29,36)(H,30,35)(H,33,34)