Eloralintide
20-[[4-[[4-[[5-[[1-[2-[[2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-[2-[[20-[(4-amino-4-carboxybutanoyl)amino]-17-(2-amino-2-oxoethyl)-8,14-bis(1-hydroxyethyl)-11-methyl-7,10,13,16,19-pentaoxo-1,3-dithia-6,9,12,15,18-pentazacyclohenicosane-5-carbonyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-4-carboxybutanoyl]amino]-2-methyl-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]-methylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-6-[[1-[2-[2-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-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]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
Molecular Identity
Eloralintide
20-[[4-[[4-[[5-[[1-[2-[[2-[[4-amino-2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[5-amino-2-[[2-[[2-[2-[[20-[(4-amino-4-carboxybutanoyl)amino]-17-(2-amino-2-oxoethyl)-8,14-bis(1-hydroxyethyl)-11-methyl-7,10,13,16,19-pentaoxo-1,3-dithia-6,9,12,15,18-pentazacyclohenicosane-5-carbonyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-4-carboxybutanoyl]amino]-2-methyl-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]-methylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-6-[[1-[2-[2-[[1-[[1-[[1-[[2-[[1-[[4-amino-1-[[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-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]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-carboxy-4-oxobutyl]amino]-1-carboxy-4-oxobutyl]amino]-20-oxoicosanoic acid
PubChem CID: 175663130
2D Structure
Properties
C201H319N49O65S2
Molecular Formula
4526.00
Molecular Weight
g/mol
4525.2671
Exact Mass
Da
-12.2
XLogP
Drug-like (Lipinski: < 5)
1890
TPSA
May have limited oral absorption
60
H-Bond Donors
70
H-Bond Acceptors
11000
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(=O)NC(C(=O)NC(CSCSCC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC(=O)N)NC(=O)CCC(C(=O)O)N)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C)(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)N(C)C(CC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)N4CCCC4C(=O)NC(CCCCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)NC(CC(C)C)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)N)C(C)OIsomeric SMILES
SMILES: CC1C(=O)NC(C(=O)NC(CSCSCC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC(=O)N)NC(=O)CCC(C(=O)O)N)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C)(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)N(C)C(CC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)N4CCCC4C(=O)NC(CCCCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)NC(CC(C)C)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)N)C(C)OSynonyms(3)
EloralintideAT537862883634-40-8
Data from PubChem (NCBI)
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