GLYCOPEPTIDE
(2S)-2-[[(2R)-2-[[(4R)-4-[[(2R)-2-[2-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(ethylamino)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]propanoic acid
Molecular Identity
GLYCOPEPTIDE
(2S)-2-[[(2R)-2-[[(4R)-4-[[(2R)-2-[2-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(ethylamino)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]propanoic acid
PubChem CID: 56928060
(2S,5R,10R,13R)-16-{[(2R,3S,4R,5R)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-(ethylamino)-6-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-5-(4-aminobutyl)-10-carbamoyl-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oic acid is a glycopeptide.
2D Structure
Properties
C36H64N8O17
Molecular Formula
880.90
Molecular Weight
g/mol
880.4389
Exact Mass
Da
-8.3
XLogP
Drug-like (Lipinski: < 5)
402
TPSA
May have limited oral absorption
14
H-Bond Donors
19
H-Bond Acceptors
1480
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(11)
GLYCOPEPTIDEGlycopeptides(2S)-2-(((2R)-2-(((4R)-4-(((2R)-2-(2-((3R,4R,5S,6R)-5-((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-3-(ethylamino)-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl)oxypropanoylamino)propanoyl)amino)-5-amino-5-oxo-pentanoyl)amino)-6-amino-hexanoyl)amino)propanoic acid(2S)-2-[[(2R)-2-[[(4R)-4-[[(2R)-2-[2-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(ethylamino)-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-6-amino-hexanoyl]amino]propanoic acidRefChem:389022CHEBI:24396103469-93-8880-017-5C00528CHEBI:141615(2S,5R,10R,13R)-16-{[(2R,3S,4R,5R)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-(ethylamino)-6-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy}-5-(4-aminobutyl)-10-carbamoyl-2,13-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazaheptadecan-1-oic acid
Data from PubChem (NCBI)
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