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

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Properties Simple | Detailed

Formula C14H23N3O6S
IUPAC Name (2s)-2-amino-6-[[(1r)-2-[[(r)-carboxy(cyclopropyl)methyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
Molecular Mass 361.414 g·mol−1
Heat of Formation -1103.1 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 428.05 Å 3
Surface Area 384.92 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-cyclopropyl-2-hydroxy-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxo-ethyl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
  • (2s)-2-amino-6-[[(2r)-1-[[(1r)-1-cyclopropyl-2-hydroxy-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
InChIKey QDTDEZBVMFHOLY-ATZCPNFKSA-N
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