Lanreotide
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular Identity
Lanreotide
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
PubChem CID: 6918011
2D Structure
Properties
C54H69N11O10S2
Molecular Formula
1096.30
Molecular Weight
g/mol
1095.4670
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
406
TPSA
May have limited oral absorption
13
H-Bond Donors
14
H-Bond Acceptors
2000
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Lanreotide108736-35-2IpstylLanreotidaLanreotidumLanreotide AutogelBIM 23014Bim-23014DC 13-116Nal-cyclo(cys-tyr-trp-lys-val-cys)-thr-NH2DTXSID608975140G3DE8943YSomatulinaSomatuline LAL-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfide
Data from PubChem (NCBI)
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Trials and conditions connected to Lanreotide
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