Name: | CISTINEXINE |
CAS: | 86042-50-4 ;102282-21-3 |
Synonyms: | CISTINEXINE |
MDL.: | MFCD00867406 |
H bond acceptor: | 12 |
H bond donor: | 4 |
Smile: | CN(Cc1cc(cc(c1NC(=O)[C@H](CSSC[C@@H](C(=O)Nc2c(cc(cc2Br)Br)CN(C)C3CCCCC3)NC(=O)OCc4ccccc4)NC(=O)OCc5ccccc5)Br)Br)C6CCCCC6 |
InChi: | 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: | InChIKey=UVOSLKVETODLTR-CXNSMIOJSA-N |
CISTINEXINE
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