1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid
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![1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0f11ab99e9bc4e9f9e45fa0bad202469.png "1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid")
1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid
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CAS No:
174740-55-7
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Formula:
C44H72N2O5
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Chemical Name:
1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid
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Synonyms:
174740-55-7;Betulinic acid NH-HepCO-Piperid-COOH deriv.;DTXSID10938567;N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)nipecotic acid;3-Piperidinecarboxylic acid, 1-(8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)-;1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid;N'-[N-3.beta.-Hydroxylup-20(29)-en-28-oyl]-8-aminooctanoyl]nipecotic acid;1-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoyl]piperidine-3-carboxylic acid;3-Piperidinecarboxylic acid, 1-[8-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxooctyl]-
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CAS No:
1-(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}octanoyl)piperidine-3-carboxylic acid Basic Attributes
709.1 g/mol
708.54412340 g/mol
Computed Properties
Molecular Weight:709.1
XLogP3:9.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:708.54412340
Monoisotopic Mass:708.54412340
Topological Polar Surface Area:107
Heavy Atom Count:51
Complexity:1340
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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