Big gastrin
(4S)-4-[[2-[[2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular Identity
Big gastrin
(4S)-4-[[2-[[2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 16132306
2D Structure
Properties
C132H194N40O49S
Molecular Formula
3157.30
Molecular Weight
g/mol
3156.3673
Exact Mass
Da
-21.1
XLogP
Drug-like (Lipinski: < 5)
1420
TPSA
May have limited oral absorption
44
H-Bond Donors
52
H-Bond Acceptors
7660
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(14)
Big gastrinGastrin 343BL184GALNprogastrinRefChem:119781GASTRIN-34 HUMANDTXSID601028768Pro-gastrinBig-big gastrinGastrin 52Gastrin 71Gastrin (human), bigUNII-3BL184GALNSCHEMBL29360635
Data from PubChem (NCBI)
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