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

Systemtic Name: (2S)-2-[[4-[[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C(CNC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N6O6/c21-20-25-16-13(18(30)26-20)7-12(9-23-16)22-8-10-1-3-11(4-2-10)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,12,14,22H,5-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t12?,14-/m0/s1