(E)-N~5~-[1-Amino-2-(Methylsulfanyl)Ethylidene]-L-Ornithine

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Properties Simple | Detailed

Formula C8H17N3O2S
IUPAC Name (2s)-2-amino-5-[(2-methylsulfanylethanimidoyl)amino]pentanoic acid
Molecular Mass 219.304 g·mol−1
Heat of Formation -362.6 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 277.63 Å 3
Surface Area 264.16 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-5-[(1-amino-2-methylsulfanyl-ethylidene)amino]pentanoic acid
  • (2s)-2-amino-5-[(1-amino-2-methylsulfanylethylidene)amino]pentanoic acid
  • (2s)-2-amino-5-[[1-amino-2-(methylthio)ethylidene]amino]pentanoic acid
  • (2s)-2-amino-5-[[1-amino-2-(methylthio)ethylidene]amino]valeric acid
InChIKey VXQPBNRYLWZLLJ-LURJTMIESA-N
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