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

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Properties Simple | Detailed

Formula C9H14Cl3N3O4
IUPAC Name (2r)-2-[[(2r)-2-[[(2s)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propanoyl]amino]-3-chloro-propanoic acid
Molecular Mass 334.584 g·mol−1
Heat of Formation -882.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 353.9 Å 3
Surface Area 306.07 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2r)-2-[[(2s)-2-amino-3-chloro-1-oxopropyl]amino]-3-chloro-1-oxopropyl]amino]-3-chloropropanoic acid
  • (2r)-2-[[(2r)-2-[[(2s)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propanoyl]amino]-3-chloro-propanoic acid
  • (2r)-2-[[(2r)-2-[[(2s)-2-amino-3-chloro-propanoyl]amino]-3-chloro-propanoyl]amino]-3-chloro-propionic acid
  • 3-cl-ala-3-cl-ala-3-cl-ala
  • beta-chloroalanyl-beta-chloroalanyl-beta-chloroalanine
CAS Number(s)
  • 103711-74-6
InChIKey OCPJWTOBPNWJLW-SRQIZXRXSA-N
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Elements H C N O Cl