Cagrilintide
20-[[(1S)-4-[[(2S)-6-amino-1-[[(4R,7S,10S,13S,16S,19R)-4-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[(2S)-2-[[(2S,3S)-1-[[(2R)-1-[(2R)-2-[(2R)-2-[[(2R,3S)-1-[[(2R)-4-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(2R)-4-amino-1-[[(2R,3S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-16-(2-amino-2-oxoethyl)-7,13-bis[(1R)-1-hydroxyethyl]-10-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxohexan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
Molecular Identity
Cagrilintide
20-[[(1S)-4-[[(2S)-6-amino-1-[[(4R,7S,10S,13S,16S,19R)-4-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[(2S)-2-[[(2S,3S)-1-[[(2R)-1-[(2R)-2-[(2R)-2-[[(2R,3S)-1-[[(2R)-4-amino-1-[[(2R)-1-[[2-[[(2R)-1-[[(2R)-4-amino-1-[[(2R,3S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-16-(2-amino-2-oxoethyl)-7,13-bis[(1R)-1-hydroxyethyl]-10-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxohexan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
PubChem CID: 171397054
2D Structure
Properties
C194H312N54O59S2
Molecular Formula
4409.00
Molecular Weight
g/mol
4408.2582
Exact Mass
Da
-12.5
XLogP
Drug-like (Lipinski: < 5)
1880
TPSA
May have limited oral absorption
60
H-Bond Donors
65
H-Bond Acceptors
10800
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
Cagrilintide1415456-99-3Cagrilintide [INN]RefChem:573322AO43BIF1U8L-PROLINAMIDE, N-(19-CARBOXY-1-OXONONADECYL)-L-.GAMMA.-GLUTAMYL-L-LYSYL-L-CYSTEINYL-L-ASPARAGINYL-L-THREONYL-L-ALANYL-L-THREONYL-L-CYSTEINYL-L-ALANYL-L-THREONYL-L-GLUTAMINYL-L-ARGINYL-L-LEUCYL-L-ALANYL-L-.ALPHA.-GLUTAMYL-L-PHENYLALANYL-L-LEUCYL-L-ARGINYL-L-HISTIDYL-L-SERYL-L-SERYL-L-ASPARAGINYL-L-ASPARAGINYL-L-PHENYLALANYLGLYCYL-L-PROLYL-L-ISOLEUCYL-L-LEUCYL-L-PROLYL-L-PROLYL-L-THREONYL-L-ASPARAGINYL-L-VALYLGLYCYL-L-SERYL-L-ASPARAGINYL-L-THREONYL-, CYCLIC (3->8)-DISULFIDEL-PROLINAMIDE, N-(19-CARBOXY-1-OXONONADECYL)-L-GAMMA-GLUTAMYL-L-LYSYL-L-CYSTEINYL-L-ASPARAGINYL-L-THREONYL-L-ALANYL-L-THREONYL-L-CYSTEINYL-L-ALANYL-L-THREONYL-L-GLUTAMINYL-L-ARGINYL-L-LEUCYL-L-ALANYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-LEUCYL-L-ARGINYL-L-HISTIDYL-L-SERYL-L-SERYL-L-ASPARAGINYL-L-ASPARAGINYL-L-PHENYLALANYLGLYCYL-L-PROLYL-L-ISOLEUCYL-L-LEUCYL-L-PROLYL-L-PROLYL-L-THREONYL-L-ASPARAGINYL-L-VALYLGLYCYL-L-SERYL-L-ASPARAGINYL-L-THREONYL-, CYCLIC (3->8)-DISULFIDEGTPL13768LDERDVMBIYGIOI-IZVMHKDJSA-NEX-A10092AT42613analogue 23 [PMID: 34288673]NN0174-0833
Data from PubChem (NCBI)
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