(2S)-2-[[4-[(2-ethyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-ethyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-ethyl-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-ethyl-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-ethyl-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-ethyl-4-keto-1H-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)C=CC(=C2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H24N4O6/c1-2-19-25-17-8-3-13(11-16(17)22(31)27-19)12-24-15-6-4-14(5-7-15)21(30)26-18(23(32)33)9-10-20(28)29/h3-8,11,18,24H,2,9-10,12H2,1H3,(H,26,30)(H,28,29)(H,32,33)(H,25,27,31)/t18-/m0/s1