N-(4-{2-[(6S)-2,4-Diamino-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-6-Yl]Ethyl}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C21H26N6O5
IUPAC Name (2s)-2-[[4-[2-[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 442.468 g·mol−1
Heat of Formation -809.9 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 519.49 Å 3
Surface Area 453.04 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[2-[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[6,5-d]pyrimidin-6-yl]ethyl]benzoyl]amino]glutaric acid
  • (2s)-2-[[4-[2-[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[6,5-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid
  • (2s)-2-[[4-[2-[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[6,5-d]pyrimidin-6-yl]ethyl]phenyl]carbonylamino]pentanedioic acid
  • (2s)-2-[[[4-[2-[(6s)-2,4-diamino-5,6,7,8-tetrahydropyrido[6,5-d]pyrimidin-6-yl]ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
InChIKey JVKOZIXIYHORFY-WFASDCNBSA-N
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