2-[[4-[[2-(carboxymethylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2-(carboxymethylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-(carboxymethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-(carboxymethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-(carboxymethylamino)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-(carboxymethylamino)-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C26H25N5O8 MolecularWeight: 535.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O8/c1-2-11-31(14-15-3-8-19-18(12-15)24(37)30-26(29-19)27-13-22(34)35)17-6-4-16(5-7-17)23(36)28-20(25(38)39)9-10-21(32)33/h1,3-8,12,20H,9-11,13-14H2,(H,28,36)(H,32,33)(H,34,35)(H,38,39)(H2,27,29,30,37)