Change structure of monomers (Peptides and CHEMs)

[ljubica-milovic]

Change the structures of following peptides and CHEMs in the library (name, (new name) -> new structure, attachment points ()attachment atom number - leaving group atom number):

• 4-Arm PEG-Maleimide -> 4-Arm PEG-Maleimide.zip, R1 = H (51-73), R2 = H (58-74), R3 = H (63-76), R4 = H (54-75)
  Covered in the ticket: #5108

• 4-Formylbenzamide -> 4-Formylbenzamide.zip, R1 = NH2 (6-7), R2 = CHO (5-9&10)
  Covered in the ticket: #4954

• Tetraxetan -> Tetraxetan.zip, R1 = OH (22-23), R2 = OH (16-17), R3 = OH (19-20), R4 = OH (25-26)
  Covered in the ticket: #5108

• (2R)-2-aminopropan-1-ol, D-alaninol -> D-alaninol.zip, R2 = OH (2-3)

• 2-aminoprop-2-enoic acid, Dehydroalanine -> Dehydroalanine.zip, R1 = H (4-6), R2 = OH (1-3)

• SelenoCysteine, Selenocysteine -> Selenocysteine.zip, R1 = H (0-5), R2 = OH (2-3), R3 = H (7-8)

• (2S)-2-amino-2-methyl-3-phenylpropanoic acid, alpha-methyl-L-phenylalanine -> alpha-methyl-L-phenylalanine.zip, R1 = H (3-5), R2 = OH (0-1)

• 2-amino-3-phenylprop-2-enoic acid, Dehydrophenylalanine -> Dehydrophenylalanine.zip, R1 = H (3-5), R2 = OH (0-1)

• 2-amino-2-methylpropan-1-ol, D-phenylglycinol -> D-phenylglycinol.zip, R1 = H (8-9)

• homohistidine -> homohistidine.zip, R1 = H (3-4), R2 = OH (0-1), R3 = H (9-13)

• (2S)-2-methylpyrrolidine-2-carboxylic acid, alpha-methyl-L-proline -> alpha-methyl-L-proline.zip, R1 = H (3-9), R2 = OH (5-7)

• (2R)-2-amino-3-(2-methyl-1H-indol-3-yl)propanoic acid, 2-methyl-D-tryptophan -> 2-methyl-D-tryptophan.zip, R1 = H (1-0), R2 = OH (3-4)

• 2-aminobut-2-enoic acid, (2Z)-2-aminobut-2-enoic acid -> (2Z)-2-aminobut-2-enoic acid.zip, R1 = H (1-0), R2 = OH (3-4)

• N-Terminal toluene, N-Terminal benzyl -> N-Terminal benzyl.zip, R2 = H (6-7)

• D-isovaline -> D-isovaline.zip, R1 = H (0-4), R2 = OH (2-3)

• diaminopimelic acid -> diaminopimelic acid.zip, R1 = H (0-5), R2 = OH (2-3)

• N-Terminal phenylmethanol, N-Terminal benzyloxy  -> N-Terminal benzyloxy .zip, R2 = H (7-8)

• N-Terminal methanol, N-Terminal methoxy -> N-Terminal methoxy.zip, R2 = H (1-2)

• 1-amino-1-carboxycyclopentane, Cycloleucine -> Cycloleucine.zip, R1 = H (6-9), R2 = OH (5-8)

• (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid, L-methyldopa -> L-methyldopa.zip, R1 = H (1-0), R2 = OH (3-4)

• (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid, L-metyrosine -> L-metyrosine.zip, R1 = H (1-0), R2 = OH (3-4)

[AlexeyGirin]

No test cases needed in that particular case

[AlexeyGirin]

Fixed.

• Ketcher Version 2.23.0-rc.3 Build at 2024-07-31; 05:31:01
• Indigo Toolkit Version 1.23.0-dev.2.1-gd93b8ec4-wasm32-wasm-clang-12.0.0
• Windows 10 Pro
• Chrome Version 127.0.6533.89 (Official Build) (64-bit)