[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate
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![[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e7df798238e4420d94f63189422d146e.png "[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate")
[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate
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CAS No:
143896-40-6
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Formula:
C16H28N4O11
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Chemical Name:
[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate
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Synonyms:
GalNAc-O-Ser-Ser-Gly;N-acetylgalactosamine-O-seryl-seryl-glycine;supprescin A;Supprescin A;143896-40-6;Galnac-O-ser-ser-gly;DTXSID00162571;N-Acetylgalactosamine-O-seryl-seryl-glycine;Glycine, N-(N-(O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-L-seryl)-L-seryl)-;N-(N-(O-(2-(Acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-L-seryl)-L-seryl)glycine
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CAS No:
[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate Basic Attributes
452.41 g/mol
452.17545772 g/mol
DTXSID00162571
Computed Properties
Molecular Weight:452.41
XLogP3:-5.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:452.17545772
Monoisotopic Mass:452.17545772
Topological Polar Surface Area:253
Heavy Atom Count:31
Complexity:649
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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