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

Systemtic Name: 2-[[(2-ethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-(phenylcarbonyl)amino]pentanedioic acid Openeye Name: 2-[benzoyl-[(2-ethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]amino]pentanedioic acid CAS Name: 2-[benzoyl-[(2-ethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanedioic acid IUPAC Name: 2-[benzoyl-[(2-ethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]amino]pentanedioic acid Traditional Name: 2-[benzoyl-[(2-ethyl-4-keto-1H-quinazolin-6-yl)methyl-propargyl-amino]amino]glutaric acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)N(C(CCC(=O)O)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N4O6/c1-3-14-29(16-17-10-11-20-19(15-17)24(33)28-22(4-2)27-20)30(21(26(35)36)12-13-23(31)32)25(34)18-8-6-5-7-9-18/h1,5-11,15,21H,4,12-14,16H2,2H3,(H,31,32)(H,35,36)(H,27,28,33)