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

Systemtic Name: (2S)-2-[[4-[2-(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-fluoranyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-fluoro-benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-fluorophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-fluorobenzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[2-(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]-2-fluoro-benzoyl]amino]glutaric acid Formula: C21H24FN5O6 MolecularWeight: 461.443563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC(=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O6/c22-14-8-10(1-2-11-7-13-17(24-9-11)26-21(23)27-19(13)31)3-4-12(14)18(30)25-15(20(32)33)5-6-16(28)29/h3-4,8,11,15H,1-2,5-7,9H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t11?,15-/m0/s1