2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
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![2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cbb413cd15cd4cea9dd3f0d680e76524.png "2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid")
2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
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CAS No:
158274-98-7
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Formula:
C23H34N4O10S
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Chemical Name:
2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid
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Synonyms:
ustiloxin C;Ustiloxin C;158274-98-7;DTXSID40935882;CHEBI:176049;(beta-R)-beta,5-Dihydroxy-2-((R)-(2-hydroxyethyl)sulfinyl)-N-methyl-L-tyrosyl-L-valyl-3-hydroxy-L-isoleucylglycine cyclic (1(sup 5)-3)-ether;2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid;Glycine, (beta-R)-beta,5-dihydroxy-2-((R)-(2-hydroxyethyl)sulfinyl)-N-methyl-L-tyrosyl-L-valyl-3-hydroxy-L-isoleucyl-, cyclic (1(sup 5)-3)-ether;Glycine, threo-beta,5-dihydroxy-2-((2-hydroxyethyl)sulfinyl)-N-methyl-L-tyrosyl-L-valyl-3-hydroxy-L-isoleucyl-, cyclic (1(5)-3)-ether, (R)-;N-{[3-Ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}glycine
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CAS No:
2-[[3-ethyl-11,15-dihydroxy-13-(2-hydroxyethylsulfinyl)-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetic acid Basic Attributes
558.6 g/mol
558.19956447 g/mol
Computed Properties
Molecular Weight:558.6
XLogP3:-4.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:558.19956447
Monoisotopic Mass:558.19956447
Topological Polar Surface Area:243
Heavy Atom Count:38
Complexity:907
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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