10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
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![10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1e6aa902893c42b1b0fd7d92750e9c15.png "10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone")
10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
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CAS No:
121740-98-5
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Formula:
C28H45N5O8
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Chemical Name:
10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
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Synonyms:
121740-98-5;2-L-Valinedestruxin E;Destruxin E, 2-L-valine-;SB 242541;DTXSID30923950;1,10-Dihydroxy-5,8,9-trimethyl-16-[(oxiran-2-yl)methyl]-3,6-di(propan-2-yl)-5,6,8,9,12,13,19,20,21,21a-decahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(3H,16H)-tetrone
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CAS No:
10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone Basic Attributes
579.7 g/mol
579.32681341 g/mol
Computed Properties
Molecular Weight:579.7
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:579.32681341
Monoisotopic Mass:579.32681341
Topological Polar Surface Area:158
Heavy Atom Count:41
Complexity:1030
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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