N~2~-(4-{2-[(6R)-2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Quinazolinyl]Ethyl}Benzoyl)-L-Ornithine

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Properties Simple | Detailed

Formula C22H30N5O4+
IUPAC Name (2s)-5-amino-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydroquinazolin-1-ium-3-id-6-yl]ethyl]benzoyl]amino]pentanoic acid
Molecular Mass 428.505 g·mol−1
Heat of Formation -618.3 ± 16.7 kJ·mol−1
Dipole Moment 10.41 ± 1.08 D
Volume 516.93 Å 3
Surface Area 461.5 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-amino-2-[[4-[2-[(6r)-2-amino-4-keto-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]benzoyl]amino]valeric acid
  • (2s)-5-amino-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]benzoyl]amino]pentanoic acid
  • (2s)-5-amino-2-[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]phenyl]carbonylamino]pentanoic acid
  • (2s)-5-amino-2-[[[4-[2-[(6r)-2-amino-4-oxo-5,6,7,8-tetrahydro-1h-quinazolin-6-yl]ethyl]phenyl]-oxomethyl]amino]pentanoic acid
  • 5,8,10-trideaza-5,6,7,8-tetrahydropteroylornithine
  • l-ornithine, n2-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-quinazolinyl)ethyl)benzoyl)-, (r)-
CAS Number(s)
  • 118537-34-1
InChIKey FLERDSAOIKEJCT-KDOFPFPSSA-N
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