N~2~-Acetyl-L-Lysyl-D-Alanyl-D-Alanine

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Properties Simple | Detailed

Formula C14H26N4O5
IUPAC Name (2r)-2-[[(2r)-2-[[(2s)-2-acetamido-6-amino-hexanoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 330.380 g·mol−1
Heat of Formation -1068.5 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 421.29 Å 3
Surface Area 377.25 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-2-[[(2s)-2-acetamido-6-ammonio-1-oxohexyl]amino]-1-oxopropyl]amino]propanoate
  • (2r)-2-[[(2r)-2-[[(2s)-2-acetamido-6-ammonio-hexanoyl]amino]propanoyl]amino]propionate
  • (2r)-2-[[(2r)-2-[[(2s)-2-acetamido-6-azaniumyl-hexanoyl]amino]propanoyl]amino]propanoate
  • (2r)-2-[[(2r)-2-[[(2s)-2-acetamido-6-azaniumylhexanoyl]amino]propanoyl]amino]propanoate
CAS Number(s)
  • 28845-97-8
InChIKey GMSXMADYKTYBCP-KKZNHRDASA-N
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