(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid
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![(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/493f69838ce14281a528a9aefd8b7767.png "(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid")
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid
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CAS No:
123951-90-6
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Formula:
C25H38N6O9
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Chemical Name:
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid
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Synonyms:
Butanoic acid,L-threonyl-L-2-aminobutanoyl-L-asparaginyl-L-tyrosyl-L-2-amino; H-Thr-Abu-Asn-Tyr-Abu-OH;
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CAS No:
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanoic acid Basic Attributes
566.60400
566.27002681 g/mol
DTXSID50154163
Computed Properties
Molecular Weight:566.6
XLogP3:-3.9
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:16
Exact Mass:566.27002681
Monoisotopic Mass:566.27002681
Topological Polar Surface Area:263
Heavy Atom Count:40
Complexity:909
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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