(3E)-N-Acetyl-3-[(4R)-4-Amino-2-Cyclohexen-1-Ylidene]-L-Alanyl-(3E)-3-[(4R)-4-Acetamido-2-Cyclohexen-1-Ylidene]-L-Alanine

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Properties Simple | Detailed

Formula C22H30N4O5
IUPAC Name (2s,3e)-2-[[(2s,3e)-2-acetamido-3-[(4r)-4-aminocyclohex-2-en-1-ylidene]propanoyl]amino]-3-[(4r)-4-acetamidocyclohex-2-en-1-ylidene]propanoic acid
Molecular Mass 430.497 g·mol−1
Heat of Formation -780.7 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 531.43 Å 3
Surface Area 462.25 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3e)-2-[[(2s,3e)-2-acetamido-3-[(4r)-4-amino-1-cyclohex-2-enylidene]-1-oxopropyl]amino]-3-[(4r)-4-acetamido-1-cyclohex-2-enylidene]propanoic acid
  • (2s,3e)-2-[[(2s,3e)-2-acetamido-3-[(4r)-4-amino-1-cyclohex-2-enylidene]propanoyl]amino]-3-[(4r)-4-acetamido-1-cyclohex-2-enylidene]propanoic acid
  • (2s,3e)-2-[[(2s,3e)-2-acetamido-3-[(4r)-4-amino-1-cyclohex-2-enylidene]propanoyl]amino]-3-[(4r)-4-acetamido-1-cyclohex-2-enylidene]propionic acid
InChIKey ZKDJPRDXYUPPEK-UCINMQDPSA-N
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