2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid
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![2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d6550b1e9ddc4836898548df15b23544.png "2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid")
2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid
structure -
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CAS No:
79385-97-0
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Formula:
C29H47N5O9
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Chemical Name:
2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid
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Synonyms:
79385-97-0;Destruxin D2;Destruxin D, 2-L-valine-;DTXSID101000436;beta-Alanine, 4-carboxy-2-hydroxypentanoyl-L-prolyl-L-valyl-N-methyl-L-valyl-N-methyl-L-alanyl-, (6->1)-lactone 5;3-[1,10-Dihydroxy-5,8,9-trimethyl-4,7,14,17-tetraoxo-3,6-di(propan-2-yl)-3,4,5,6,7,8,9,12,13,14,16,17,19,20,21,21a-hexadecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl]-2-methylp
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CAS No:
2-methyl-3-[10,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-13,16-di(propan-2-yl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosan-3-yl]propanoic acid Basic Attributes
609.7 g/mol
609.33737809 g/mol
Computed Properties
Molecular Weight:609.7
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:609.33737809
Monoisotopic Mass:609.33737809
Topological Polar Surface Area:183
Heavy Atom Count:43
Complexity:1090
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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