142569-99-1
(4S)-4-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular Identity
142569-99-1
(4S)-4-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
PubChem CID: 16130933
2D Structure
Properties
C86H117N17O27
Molecular Formula
1820.90
Molecular Weight
g/mol
1819.8305
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
696
TPSA
May have limited oral absorption
23
H-Bond Donors
28
H-Bond Acceptors
3920
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
142569-99-1SovatelitideSuccinyl-(glu(9),ala(11,15))-endothelin-1 (8-21)11X778QIZSSuccinyl-(glutamyl(9)-alanyl(11,15))-endothelin-1 (8-21)DTXSID70162088RefChem:888373DTXCID4084579Endothelin B Receptor Agonist SPI-1620PMZ-1620SovateltideSpi-1620Irl 1620Sovatelitide (USAN)Sovatelitide [USAN]
Data from PubChem (NCBI)
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