(E)-N~5~-(Amino{[(1S)-1-Carboxy-2-Nitroethyl]Amino}Methylene)-L-Ornithine

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Properties Simple | Detailed

Formula C9H17N5O6
IUPAC Name (2s)-2-amino-5-[(e)-[amino-[[(1s)-1-carboxy-2-nitro-ethyl]amino]methylene]amino]pentanoic acid
Molecular Mass 291.261 g·mol−1
Heat of Formation -758.7 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 337.55 Å 3
Surface Area 293.67 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[n'-[(4s)-4-amino-5-hydroxy-5-keto-pentyl]carbamimidoyl]amino]-3-nitro-propionic acid
  • (2s)-2-amino-5-[[amino-[[(1s)-2-hydroxy-1-(nitromethyl)-2-oxo-ethyl]amino]methylene]amino]pentanoic acid
  • (2s)-2-amino-5-[[amino-[[(1s)-2-hydroxy-1-(nitromethyl)-2-oxoethyl]amino]methylene]amino]pentanoic acid
  • (2s)-2-amino-5-[[amino-[[(2s)-1-hydroxy-3-nitro-1-oxo-propan-2-yl]amino]methylidene]amino]pentanoic acid
  • (2s)-2-amino-5-[[amino-[[(2s)-1-hydroxy-3-nitro-1-oxopropan-2-yl]amino]methylidene]amino]pentanoic acid
  • l-ornithine, n5-(((1-carboxy-2-nitroethyl)amino)iminomethyl)-, (s)-
  • n(3)-(1-carboxy-2-nitroethyl)arginine
  • nitro-argininosuccinate
InChIKey OHLCJEMYQKDXDX-WDSKDSINSA-N
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