N-Benzoyl-L-Alanyl-N~5~-(Diaminomethylene)-L-Ornithine

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Properties Simple | Detailed

Formula C16H23N5O4
IUPAC Name (2s)-2-[[(2s)-2-benzamidopropanoyl]amino]-5-(diaminomethyleneammonio)pentanoate
Molecular Mass 349.385 g·mol−1
Heat of Formation -635.1 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 424.23 Å 3
Surface Area 391.11 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-(benzoylamino)propanoyl]amino]-5-(diaminomethyleneazaniumyl)pentanoate
  • (2s)-2-[[(2s)-2-(benzoylamino)propanoyl]amino]-5-(diaminomethyleneazaniumyl)valerate
  • (2s)-2-[[(2s)-2-(benzoylamino)propanoyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[[(2s)-1-oxo-2-[(oxo-phenylmethyl)amino]propyl]amino]pentanoate
  • (2s)-5-(diaminomethylideneazaniumyl)-2-[[(2s)-2-(phenylcarbonylamino)propanoyl]amino]pentanoate
CAS Number(s)
  • 71448-11-8
InChIKey FDSPJMDEWGLXKT-JQWIXIFHSA-N
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