3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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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![3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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/20220812/01d0ecdf4c2648bbb193a817d6401975.png "3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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")
3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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 -
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CAS No:
79385-99-2
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Formula:
C29H49N5O8
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Chemical Name:
3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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:
79385-99-2;Destruxin C2;Destruxin C, 2-L-valine-;DTXSID501000438;beta-Alanine, 2,5-dihydroxy-4-methylpentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-, (6->1)-lactone 5;1,10-Dihydroxy-16-(3-hydroxy-2-methylpropyl)-5,8,9-trimethyl-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:
3-(3-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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
595.7 g/mol
595.35811354 g/mol
Computed Properties
Molecular Weight:595.7
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:595.35811354
Monoisotopic Mass:595.35811354
Topological Polar Surface Area:166
Heavy Atom Count:42
Complexity:1020
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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