2-[[4-[[(2R)-2-methyl-4-oxidanylidene-2,3-dihydro-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(2R)-2-methyl-4-oxidanylidene-2,3-dihydro-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2R)-2-methyl-4-oxo-2,3-dihydro-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2R)-2-methyl-4-oxo-2,3-dihydro-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2R)-2-methyl-4-oxo-2,3-dihydro-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2R)-4-keto-2-methyl-2,3-dihydro-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoyl]amino]glutaric acid Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1

Isomeric SMILES

C[C@@H]1NC2=C(C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1

InChI

InChI=1S/C25H26N4O6/c1-3-12-29(14-16-4-9-20-19(13-16)24(33)27-15(2)26-20)18-7-5-17(6-8-18)23(32)28-21(25(34)35)10-11-22(30)31/h1,4-9,13,15,21,26H,10-12,14H2,2H3,(H,27,33)(H,28,32)(H,30,31)(H,34,35)/t15-,21?/m1/s1