N,N'-Bis[(benzyloxy)carbonyl]-N,N'-bis(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)-L-cystinamide
[CAS# 86042-50-4]

Identification

• Name: N,N'-Bis[(benzyloxy)carbonyl]-N,N'-bis(2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}phenyl)-L-cystinamide
• Synonyms: 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, (R-(R*,R*))-; Cistinexina; Cistinexine
• Molecular Formula: C₅₀H₆₀Br₄N₆O₆S₂
• Molecular Weight: 1224.79
• CAS Registry Number: 86042-50-4
• 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
• InChI: 1S/C50H60Br4N6O6S2/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t43-,44-/m0/s1
• InChIKey: UVOSLKVETODLTR-CXNSMIOJSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 1106.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 623.1±34.3°C (Cal.)