2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, dihydrochloride, (R-(R*,R*))-
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2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, dihydrochloride, (R-(R*,R*))-
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CAS No:
86042-51-5
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Formula:
C50H62Br4Cl2N6O6S2
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Chemical Name:
2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, dihydrochloride, (R-(R*,R*))-
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Synonyms:
cistinexine;N,N'-bis(benzyloxycarbonyl)cystine-bis(2,4-dibromo-6-(N-cyclohexyl-N-methyl)aminomethyl)anilide dihydrochloride;Rec 15-1884-2;Rec-15-1884-2;Cistinexine;86042-51-5;dibenzyl ((2R,2'R)-disulfanediylbis(3-((2,4-dibromo-6-((cyclohexyl(methyl)amino)methyl)phenyl)amino)-3-oxopropane-1,2-diyl))dicarbamate dihydrochloride;Rec 15-1884-2;(R-(R*,R*))-Phenylmethyl 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-2-oxa-7,8-dithia-4,11-diazadodecan-12-oate;2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, dihydrochloride, (R-(R*,R*))-;N,N'-Bis(benzyloxycarbonyl)cystine-bis(2,4-dibromo-6-(N-cyclohexyl-N-methyl)aminomethyl)anilide dihydrochloride;2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, dihydrochloride, (5R,10R)-
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CAS No:
2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, dihydrochloride, (R-(R*,R*))- Basic Attributes
1297.7 g/mol
1296.02418 g/mol
DTXSID50235360
Computed Properties
Molecular Weight:1297.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:23
Exact Mass:1296.02418
Monoisotopic Mass:1292.02828
Topological Polar Surface Area:192
Heavy Atom Count:70
Complexity:1430
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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