(2S)-2-[6-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid

Systemtic Name: (2S)-2-[6-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid Openeye Name: (2S)-2-[5-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-1-oxo-isoindolin-2-yl]pentanedioic acid CAS Name: (2S)-2-[6-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid IUPAC Name: (2S)-2-[6-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid Traditional Name: (2S)-2-[1-keto-5-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]isoindolin-2-yl]glutaric acid Formula: C26H24N4O6 MolecularWeight: 488.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC4=C(C=C3)C(=O)N(C4)C(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC4=C(C=C3)C(=O)N(C4)[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H24N4O6/c1-3-10-29(13-16-4-7-21-20(11-16)24(33)28-15(2)27-21)18-5-6-19-17(12-18)14-30(25(19)34)22(26(35)36)8-9-23(31)32/h1,4-7,11-12,22H,8-10,13-14H2,2H3,(H,31,32)(H,35,36)(H,27,28,33)/t22-/m0/s1