3-Chloro-L-Alanyl-3-Chloro-L-Alanine

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Properties Simple | Detailed

Formula C6H10Cl2N2O3
IUPAC Name (2r)-2-[[(2r)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propanoic acid
Molecular Mass 229.061 g·mol−1
Heat of Formation -676.4 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 243.5 Å 3
Surface Area 222.53 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-2-amino-3-chloro-1-oxopropyl]amino]-3-chloropropanoic acid
  • (2r)-2-[[(2r)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propanoic acid
  • (2r)-2-[[(2r)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propionic acid
  • (2r)-2-[[(2r)-2-amino-3-chloropropanoyl]amino]-3-chloropropanoic acid
  • 3-chloroalanyl-3-chloroalanine
  • 3-cl-ala-3-cl-ala
  • beta-chloroalanyl-beta-chloroalanine
CAS Number(s)
  • 87205-45-6
InChIKey VFVOOLWBPFEFKL-IMJSIDKUSA-N
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