2-[[[2-(hydroxymethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid

Systemtic Name: 2-[[[2-(hydroxymethyl)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid Openeye Name: 2-[benzoyl-[[2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]amino]pentanedioic acid CAS Name: 2-[benzoyl-[[2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]amino]pentanedioic acid IUPAC Name: 2-[benzoyl-[[2-(hydroxymethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]amino]pentanedioic acid Traditional Name: 2-[benzoyl-[(4-keto-2-methylol-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]glutaric acid Formula: C25H24N4O7 MolecularWeight: 492.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CO)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CO)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4O7/c1-2-12-28(14-16-8-9-19-18(13-16)23(33)27-21(15-30)26-19)29(20(25(35)36)10-11-22(31)32)24(34)17-6-4-3-5-7-17/h1,3-9,13,20,30H,10-12,14-15H2,(H,31,32)(H,35,36)(H,26,27,33)