(2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]amino]glutaric acid Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C19H20N6O6/c20-19-24-15-14(17(29)25-19)10(8-22-15)7-21-11-3-1-9(2-4-11)16(28)23-12(18(30)31)5-6-13(26)27/h1-4,8,12,21H,5-7H2,(H,23,28)(H,26,27)(H,30,31)(H4,20,22,24,25,29)/t12-/m0/s1