Solnatide
(3S,6S,9S,12S,18S,21S,27S,30S,33S,36S,42R,47R,50S,53S,56S)-42-amino-3-(4-aminobutyl)-36-(3-amino-3-oxopropyl)-33-(3-carbamimidamidopropyl)-9,18,30-tris(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-50-[(4-hydroxyphenyl)methyl]-53-(1H-indol-3-ylmethyl)-6,12-dimethyl-2,5,8,11,14,17,20,26,29,32,35,38,41,49,52,55-hexadecaoxo-44,45-dithia-1,4,7,10,13,16,19,25,28,31,34,37,40,48,51,54-hexadecazatricyclo[54.3.0.021,25]nonapentacontane-47-carboxylic acid
Molecular Identity
Solnatide
(3S,6S,9S,12S,18S,21S,27S,30S,33S,36S,42R,47R,50S,53S,56S)-42-amino-3-(4-aminobutyl)-36-(3-amino-3-oxopropyl)-33-(3-carbamimidamidopropyl)-9,18,30-tris(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-50-[(4-hydroxyphenyl)methyl]-53-(1H-indol-3-ylmethyl)-6,12-dimethyl-2,5,8,11,14,17,20,26,29,32,35,38,41,49,52,55-hexadecaoxo-44,45-dithia-1,4,7,10,13,16,19,25,28,31,34,37,40,48,51,54-hexadecazatricyclo[54.3.0.021,25]nonapentacontane-47-carboxylic acid
PubChem CID: 91864495
2D Structure
Properties
C82H119N23O27S2
Molecular Formula
1923.10
Molecular Weight
g/mol
1921.8087
Exact Mass
Da
-10.7
XLogP
Drug-like (Lipinski: < 5)
861
TPSA
May have limited oral absorption
27
H-Bond Donors
32
H-Bond Acceptors
4170
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(18)
Solnatide259206-53-6AP-30117ZS80333GCys-gly-gln-arg-glu-thr-pro-glu-gly-ala-glu-ala-lys-pro-trp-tyr-cys cyclic (1->17)-disulfideL-Cysteine, L-cysteinylglycyl-L-glutaminyl-L-arginyl-L-alpha-glutamyl-L-threonyl-L-prolyl-L-alpha-glutamylglycyl-L-alanyl-L-alpha-glutamyl-L-alanyl-L-lysyl-L-prolyl-L-tryptophyl-L-tyrosyl-, cyclic (1->17)-disulfidesolnatidumSolnatidaRefChem:1098884AP301Solnatide [INN]TIP-peptideUNII-17ZS80333GAP301 peptideorb1983690
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Solnatide
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