Cistinexine

benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate;dihydrochloride

Also Known As: Cistinexine|Rec 15-1884-2|Benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate;dihydrochloride|(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*))-|benzyl N-[(1R)-1-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-[(2R)-2-[[2,4-dibromo-6-[(cyclohexyl-methyl-amino)methyl]phenyl]carbamoyl]-2-phenylmethoxycarbonylamino-ethyl]disulfanyl-ethyl]carbamate dihydrochloride|N,N'-Bis(benzyloxycarbonyl)cystine-bis(2,4-dibromo-6-(N-cyclohexyl-N-methyl)aminomethyl)anilide dihydrochloride|n,n'-bis[(benzyloxy)carbonyl]-n,n'-bis(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)-l-cystinamide 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)-|2-Oxa-7,8-dithia-4,11-diazadodecan-12-oicacid,5,10-bis(((2,4-dibromo-6-( -3-oxo-1-phenyl-,phenylmethylester,dihydrochloride,(R- -|benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate dihydrochloride|dibenzyl ((2R,2'R)-disulfanediylbis(3-((2,4-dibromo-6-((cyclohexyl(methyl)amino)methyl)phenyl)amino)-3-oxopropane-1,2-diyl))dicarbamate dihydrochloride

Molecular Formula	C50H62Br4Cl2N6O6S2
Molecular Weight	1292.0283 g/mol
LogP	13.6578
Topological Polar Surface Area	192.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	23
Exact Mass	1292.0283
Monoisotopic Mass	1292.0283
Heavy Atoms	70
Complexity	1430.0

Chemical Identifiers

CAS Number	1997-08-6
SMILES	CN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)[C@H](CSSC[C@@H](C(=O)NC2=C(C=C(C=C2Br)Br)CN(C)C3CCCCC3)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C6CCCCC6.Cl.Cl
InChIKey	PPEZAAJBUXWMPJ-OWRGXFNZSA-N