LY2605541
(4S)-4-[[2-[[(aS,1R,3aS,6R,6aS,9S,12S,13aR,15S,18R,21S,24S,27S,30S,33S,36S,39S,42S,45R,50R,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,88S,91S,94S,97S)-13a-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6a,39,97-tris(2-amino-2-oxoethyl)-30,94-bis(3-amino-3-oxopropyl)-3a-benzyl-15-[(2S)-butan-2-yl]-36,68-bis(2-carboxyethyl)-9-[(1R)-1-hydroxyethyl]-12,21,80-tris(hydroxymethyl)-27,42,59-tris[(4-hydroxyphenyl)methyl]-77,91-bis(1H-imidazol-5-ylmethyl)-65-methyl-24,33,56,62,74,88-hexakis(2-methylpropyl)-2a,5a,7,8a,10,13,14a,16,19,22,25,28,31,34,37,40,43,52,55,58,61,64,67,70,73,76,79,82,85,87,90,93,96,99-tetratriacontaoxo-a,53,71-tri(propan-2-yl)-3,4,10a,11a,47,48-hexathia-1a,4a,7a,8,11,14,15a,17,20,23,26,29,32,35,38,41,44,51,54,57,60,63,66,69,72,75,78,81,84,86,89,92,95,98-tetratriacontazatricyclo[43.40.23.76,18]pentadecahectane-50-carbonyl]amino]acetyl]amino]-5-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]pyrrolidin-1-yl]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular Identity
LY2605541
(4S)-4-[[2-[[(aS,1R,3aS,6R,6aS,9S,12S,13aR,15S,18R,21S,24S,27S,30S,33S,36S,39S,42S,45R,50R,53S,56S,59S,62S,65S,68S,71S,74S,77S,80S,88S,91S,94S,97S)-13a-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6a,39,97-tris(2-amino-2-oxoethyl)-30,94-bis(3-amino-3-oxopropyl)-3a-benzyl-15-[(2S)-butan-2-yl]-36,68-bis(2-carboxyethyl)-9-[(1R)-1-hydroxyethyl]-12,21,80-tris(hydroxymethyl)-27,42,59-tris[(4-hydroxyphenyl)methyl]-77,91-bis(1H-imidazol-5-ylmethyl)-65-methyl-24,33,56,62,74,88-hexakis(2-methylpropyl)-2a,5a,7,8a,10,13,14a,16,19,22,25,28,31,34,37,40,43,52,55,58,61,64,67,70,73,76,79,82,85,87,90,93,96,99-tetratriacontaoxo-a,53,71-tri(propan-2-yl)-3,4,10a,11a,47,48-hexathia-1a,4a,7a,8,11,14,15a,17,20,23,26,29,32,35,38,41,44,51,54,57,60,63,66,69,72,75,78,81,84,86,89,92,95,98-tetratriacontazatricyclo[43.40.23.76,18]pentadecahectane-50-carbonyl]amino]acetyl]amino]-5-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]pyrrolidin-1-yl]-6-(2-methoxyethoxycarbonylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 71301236
2D Structure
Properties
C261H387N65O79S6
Molecular Formula
5892.00
Molecular Weight
g/mol
5889.6655
Exact Mass
Da
-7.6
XLogP
Drug-like (Lipinski: < 5)
2440
TPSA
May have limited oral absorption
77
H-Bond Donors
89
H-Bond Acceptors
14900
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(3)
LY2605541RefChem:1545661391823-78-1
Data from PubChem (NCBI)
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