(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid
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![(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f507a13713d345ee8933ab1e4c01fb8c.png "(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid")
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid
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CAS No:
147334-89-2
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Formula:
C34H61N3O9
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Chemical Name:
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid
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Synonyms:
Stevastelin B;
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CAS No:
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R,3R,4R,5R)-3,5-dihydroxy-2,4-dimethyloctadecanoyl]amino]-3,3-dimethylpent-4-enoyl]amino]-3-hydroxybutanoyl]amino]-3-oxopropanoic acid Basic Attributes
655.86300
655.44078053
Computed Properties
Molecular Weight:655.9
XLogP3:6.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:26
Exact Mass:655.44078053
Monoisotopic Mass:655.44078053
Topological Polar Surface Area:202
Heavy Atom Count:46
Complexity:958
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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