(2S)-2-[6-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid

Systemtic Name: (2S)-2-[6-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid Openeye Name: (2S)-2-[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-1-oxo-isoindolin-2-yl]pentanedioic acid CAS Name: (2S)-2-[6-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-3-oxo-1H-isoindol-2-yl]pentanedioic acid IUPAC Name: (2S)-2-[6-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-3-oxo-1H-isoindol-2-yl]pentanedioic acid Traditional Name: (2S)-2-[5-[2-(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-1-keto-isoindolin-2-yl]glutaric acid Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC4=C(C=C3)C(=O)N(C4)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC4=C(C=C3)C(=O)N(C4)[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H25N5O6/c23-22-25-18-15(19(30)26-22)8-12(9-24-18)2-1-11-3-4-14-13(7-11)10-27(20(14)31)16(21(32)33)5-6-17(28)29/h3-4,7,12,16H,1-2,5-6,8-10H2,(H,28,29)(H,32,33)(H4,23,24,25,26,30)/t12?,16-/m0/s1