Benzyl N~5~-(N-Nitrocarbamimidoyl)Ornithinate

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Properties Simple | Detailed

Formula C13H19N5O4
IUPAC Name benzyl (2s)-2-amino-5-[(e)-[amino(nitramido)methylene]amino]pentanoate
Molecular Mass 309.321 g·mol−1
Heat of Formation -246.6 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 360.43 Å 3
Surface Area 296.54 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[(amino-nitramido-methylene)amino]valeric acid benzyl ester
  • (2s)-2-amino-5-[(amino-nitramidomethylene)amino]pentanoic acid phenylmethyl ester
  • l-nabe
  • l-ornithine, n5-(imino(nitroamino)methyl)-, phenylmethyl ester
  • n(g)-nitro-l-arginine-benzylester
  • n(omega)-nitro-l-arginine benzyl ester
  • n(omega)-nitroarginine benzyl ester
  • nabe
  • phenylmethyl (2s)-2-amino-5-[(amino-nitramido-methylene)amino]pentanoate
  • phenylmethyl (2s)-2-amino-5-[(amino-nitramido-methylidene)amino]pentanoate
  • phenylmethyl (2s)-2-amino-5-[(amino-nitramidomethylidene)amino]pentanoate
CAS Number(s)
  • 131766-13-7
  • 62643-29-2
  • 7672-27-7
InChIKey FAJFGLZHUIUNSS-NSHDSACASA-N
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