N~6~-[(2R)-1-{[(R)-Carboxy(1-Methylcyclopropyl)Methyl]Amino}-1-Oxo-3-Sulfanyl-2-Propanyl]-6-Oxo-L-Lysine

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Properties Simple | Detailed

Formula C15H25N3O6S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(r)-carboxy-(1-methylcyclopropyl)methyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 375.441 g·mol−1
Heat of Formation -1146.7 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 455.68 Å 3
Surface Area 383.81 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-2-hydroxy-1-(1-methylcyclopropyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-2-hydroxy-1-(1-methylcyclopropyl)-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-2-hydroxy-2-keto-1-(1-methylcyclopropyl)ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(1r)-2-hydroxy-1-(1-methylcyclopropyl)-2-oxo-ethyl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(1r)-2-hydroxy-1-(1-methylcyclopropyl)-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
InChIKey RSWNRYJZSUJOPA-QXEWZRGKSA-N
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