Vapreotide
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]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
Vapreotide
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]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: 6918026
2D Structure
Properties
C57H70N12O9S2
Molecular Formula
1131.40
Molecular Weight
g/mol
1130.4830
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
401
TPSA
May have limited oral absorption
13
H-Bond Donors
13
H-Bond Acceptors
2080
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
VapreotideVapreotida103222-11-3VapreotidumSanvar IR2PK59M9GFFBMY-41606CCRIS 6495RC-160DTXSID00883113BMY 41606D-phenylalanyl-cysteinyl-tyrosyl-D-tryptophyl-lysyl-valyl-cysteinyl-tryptophanamide(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]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(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-((2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-19-(((2R)-2-amino-3-phenylpropanoyl)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-carboxamideRefChem:193718
Data from PubChem (NCBI)
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