Basic Information |
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Product Name: | (CYS(BZL)84,GLU(OBZL)85)-CD4 (81-92) |
English Synonyms: | (CYS(BZL)84,GLU(OBZL)85)-CD4 (81-92) ; THR-TYR-ILE-CYS(BZL)-GLU(OBZL)-VAL-GLU-ASP-GLN-LYS-GLU-GLU ; H-THR-TYR-ILE-CYS(BZL)-GLU(OBZL)-VAL-GLU-ASP-GLN-LYS-GLU-GLU-OH ; THR-TYR-ILE-CYS(BZL)-GLU(BZL)-VAL-GLU-ASP-GLN-LYS-GLU-GLU |
MDL Number.: | MFCD00237438 |
H bond acceptor: | 40 |
H bond donor: | 21 |
Smile: | CC[C@H](C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)[C@H]([C@@H](C)O)N |
InChi: | InChI=1S/C76H108N14O26S/c1-6-41(4)64(90-71(109)53(87-73(111)62(79)42(5)91)35-43-20-22-46(92)23-21-43)75(113)88-55(39-117-38-45-17-11-8-12-18-45)72(110)83-51(28-33-61(102)116-37-44-15-9-7-10-16-44)69(107)89-63(40(2)3)74(112)84-50(26-31-58(96)97)68(106)86-54(36-60(100)101)70(108)82-48(24-29-56(78)93)66(104)80-47(19-13-14-34-77)65(103)81-49(25-30-57(94)95)67(105)85-52(76(114)115)27-32-59(98)99/h7-12,15-18,20-23,40-42,47-55,62-64,91-92H,6,13-14,19,24-39,77,79H2,1-5H3,(H2,78,93)(H,80,104)(H,81,103)(H,82,108)(H,83,110)(H,84,112)(H,85,105)(H,86,106)(H,87,111)(H,88,113)(H,89,107)(H,90,109)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t41-,42+,47-,48-,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1 |
InChiKey: | InChIKey=XGNNAUIPMWXVKP-MVPQINCLSA-N |
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