(2S)-2-[[1-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]indol-5-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[1-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]indol-5-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[1-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]indole-5-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[1-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-5-indolyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[1-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]indole-5-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[1-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl]indole-5-carbonyl]amino]glutaric acid Formula: C24H22N4O6 MolecularWeight: 462.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN3C=CC4=C3C=CC(=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN3C=CC4=C3C=CC(=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H22N4O6/c1-13-25-18-4-2-14(10-17(18)23(32)26-13)12-28-9-8-15-11-16(3-6-20(15)28)22(31)27-19(24(33)34)5-7-21(29)30/h2-4,6,8-11,19H,5,7,12H2,1H3,(H,27,31)(H,29,30)(H,33,34)(H,25,26,32)/t19-/m0/s1