α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-benzyl-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
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α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-benzyl-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
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CAS No:
38541-74-1
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Formula:
C39H47N5O5
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Chemical Name:
α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-benzyl-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
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Synonyms:
Amphibine B;C09998;CHEBI:2681;DTXSID50415140;Q27105765
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CAS No:
α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-benzyl-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide Basic Attributes
665.82098
665.358
DTXSID50415140
Computed Properties
Molecular Weight:665.8
XLogP3:5.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:665.35771962
Monoisotopic Mass:665.35771962
Topological Polar Surface Area:120
Heavy Atom Count:49
Complexity:1140
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
α-(Dimethylamino)-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-benzyl-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]benzenepropanamide
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