(2S)-2-[[4-[2-(2-azanyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[2-(2-azanyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[2-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[2-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[2-(2-amino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]glutaric acid Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC2=NC(=NC=C21)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C(CNC2=NC(=NC=C21)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H25N5O5/c22-21-24-11-15-9-13(10-23-18(15)26-21)2-1-12-3-5-14(6-4-12)19(29)25-16(20(30)31)7-8-17(27)28/h3-6,11,13,16H,1-2,7-10H2,(H,25,29)(H,27,28)(H,30,31)(H3,22,23,24,26)/t13?,16-/m0/s1