4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
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![4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b2876ee247914e1b8bd2922174dbe0c1.png "4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate")
4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
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CAS No:
161596-65-2
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Formula:
C25H46N6O2
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Chemical Name:
4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
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Synonyms:
batzelladine D;Batzelladine D;161596-65-2;1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,6,7,8,8a-octahydro-4-methyl-7-nonyl-, 4-((aminoiminomethyl)amino)butyl ester, (4R,7S)-;1H-5,6,8b-Triazaacenaphthylene-3-carboxylic acid, 2,2a,3,4,6,7,8,8a-octahydro-4-methyl-7-nonyl-, 4-[(aminoiminomethyl)amino]butyl ester, (4R,7S)-;DTXSID90936561;4-guanidinobutyl methyl(nonyl)[?]carboxylate;4-Carbamimidamidobutyl 4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate
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CAS No:
4-(diaminomethylideneamino)butyl (6R,10S)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate Basic Attributes
462.7 g/mol
462.36822473 g/mol
Computed Properties
Molecular Weight:462.7
XLogP3:4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:15
Exact Mass:462.36822473
Monoisotopic Mass:462.36822473
Topological Polar Surface Area:118
Heavy Atom Count:33
Complexity:678
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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