2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid
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![2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ed7fad88a46c4e2c844381f60bdafc14.png "2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid")
2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid
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CAS No:
105678-35-1
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Formula:
C18H32N4O10
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Chemical Name:
2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid
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Synonyms:
xylopyranosyl-seryl-glycyl-isoleucyl-glycine;xylosyl-Ser-Gly-Ile-Gly;Xylosyl-ser-gly-ile-gly;Xylopyranosyl-seryl-glycyl-isoleucyl-glycine;105678-35-1
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CAS No:
2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid Basic Attributes
464.5 g/mol
464.21184323 g/mol
Computed Properties
Molecular Weight:464.5
XLogP3:-5.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:464.21184323
Monoisotopic Mass:464.21184323
Topological Polar Surface Area:230
Heavy Atom Count:32
Complexity:664
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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