Octreotate
2-[[10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
Molecular Identity
Octreotate
2-[[10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoic acid
PubChem CID: 53990323
2D Structure
Properties
C49H64N10O11S2
Molecular Formula
1033.20
Molecular Weight
g/mol
1032.4197
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
400
TPSA
May have limited oral absorption
13
H-Bond Donors
15
H-Bond Acceptors
1830
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(6)
OctreotateDTXSID801029867RefChem:1093827DTXCID001515058SCHEMBL29359873Q7077116
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Octreotate
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