(2S)-2-[[6-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]pyridin-3-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[6-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]pyridin-3-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[6-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]pyridine-3-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[6-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]-3-pyridinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[6-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]pyridine-3-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[6-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-methyl-amino]nicotinoyl]amino]glutaric acid Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=NC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O6/c1-12-24-16-5-3-13(9-15(16)21(31)25-12)11-27(2)18-7-4-14(10-23-18)20(30)26-17(22(32)33)6-8-19(28)29/h3-5,7,9-10,17H,6,8,11H2,1-2H3,(H,26,30)(H,28,29)(H,32,33)(H,24,25,31)/t17-/m0/s1