DTXSID201336482
(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular Identity
DTXSID201336482
(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 165360157
2D Structure
Properties
C54H83N15O21S2
Molecular Formula
1342.50
Molecular Weight
g/mol
1341.5329
Exact Mass
Da
-8.3
XLogP
Drug-like (Lipinski: < 5)
634
TPSA
May have limited oral absorption
20
H-Bond Donors
24
H-Bond Acceptors
2630
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
DTXSID201336482nangibotidumNangibotidaMotremRefChem:83172159HD7BLX9HLR12DTXCID101766688Lissamine-rhodamine dodecanoic acidLR 12LR-12Leu-Gln-Glu-Glu-Asp-Ala-Gly-Glu-Tyr-Gly-Cys-Met-NH2L-Methioninamide, L-leucyl-L-glutaminyl-L-alpha-glutamyl-L-alpha-glutamyl-L-alpha-aspartyl-L-alanylglycyl-L-alpha-glutamyl-L-tyrosylglycyl-L-cysteinyl-2014384-91-7Nangibotide
Data from PubChem (NCBI)
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