(2S)-2-[[4-[2-(2-azanyl-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[2-(2-azanyl-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[2-(2-amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2-(2-amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[2-(2-amino-4-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid Formula: C22H25N5O5 MolecularWeight: 439.4644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CNC2=NC(=N1)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCC1=C2C(=CNC2=NC(=N1)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H25N5O5/c1-2-15-18-14(11-24-19(18)27-22(23)26-15)8-5-12-3-6-13(7-4-12)20(30)25-16(21(31)32)9-10-17(28)29/h3-4,6-7,11,16H,2,5,8-10H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H3,23,24,26,27)/t16-/m0/s1