Basic Information |
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| Product Name： | CHLOROTOXIN TRIFLUOROACETATE SALT |
| English Synonyms： | CLTX (EGYPTIAN SCORPION) TRIFLUOROACETATE SALT ; CHLOROTOXIN TRIFLUOROACETATE SALT ; H-MET-CYS-MET-PRO-CYS-PHE-THR-THR-ASP-HIS-GLN-MET-ALA-ARG-LYS-CYS-ASP-ASP-CYS-CYS-GLY-GLY-LYS-GLY-ARG-GLY-LYS-CYS-TYR-GLY-PRO-GLN-CYS-LEU-CYS-ARG-OH (DISULFIDE BONDS BETWEEN CYS2 AND CYS19/CYS5 AND CYS28/CYS16 AND CYS33/CYS20 AND CYS35) TRIFLUOROACETATE SALT |
| MDL Number.： | MFCD18782344 |
| H bond acceptor： | 100 |
| H bond donor： | 56 |
| Smile： | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)[C@@H]4CCCN4C(=O)NC(=O)CN[C@H](C(=O)NC(=O)[C@@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)CCC(=O)N)Cc6c[nH]cn6)CC(=O)O)[C@@H](C)O)[C@@H](C)O)Cc7ccccc7)NC(=O)C8CCCN8C(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)C(N3)CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N5)CCCCN)CCCNC(=N)N)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC(=O)O)CC(=O)O)NC(=O)[C@H](CCSC)N)CCSC)Cc9ccc(cc9)O)CCC(=O)N)CCCCN)CCCNC(=N)N.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C158H248N52O48S11.C2HF3O2/c1-77(2)55-97-137(239)202-106(145(247)192-95(154(256)257)30-20-49-174-157(169)170)71-265-262-68-103-130(232)177-63-115(216)176-65-116(217)183-87(25-12-15-44-159)128(230)178-66-117(218)184-88(28-18-47-172-155(165)166)129(231)179-67-118(219)185-89(26-13-16-45-160)132(234)201-110-75-269-268-74-109-147(249)193-98(57-81-23-10-9-11-24-81)142(244)206-124(80(5)212)152(254)207-123(79(4)211)151(253)197-102(61-122(225)226)140(242)194-99(58-83-62-171-76-180-83)138(240)189-92(38-40-114(164)215)135(237)190-93(42-53-260-7)131(233)181-78(3)126(228)187-91(29-19-48-173-156(167)168)133(235)188-90(27-14-17-46-161)134(236)200-107(72-266-263-69-104(182-97)143(245)186-86(37-39-113(163)214)125(227)111-31-21-51-210(111)158(258)205-119(220)64-175-96(136(238)208-149(110)251)56-82-33-35-84(213)36-34-82)146(248)196-100(59-120(221)222)139(241)195-101(60-121(223)224)141(243)203-108(148(250)199-103)73-267-264-70-105(198-127(229)85(162)41-52-259-6)144(246)191-94(43-54-261-8)153(255)209-50-22-32-112(209)150(252)204-109;3-2(4,5)1(6)7/h9-11,23-24,33-36,62,76-80,85-112,123-124,175,182,211-213H,12-22,25-32,37-61,63-75,159-162H2,1-8H3,(H2,163,214)(H2,164,215)(H,171,180)(H,176,216)(H,177,232)(H,178,230)(H,179,231)(H,181,233)(H,183,217)(H,184,218)(H,185,219)(H,186,245)(H,187,228)(H,188,235)(H,189,240)(H,190,237)(H,191,246)(H,192,247)(H,193,249)(H,194,242)(H,195,241)(H,196,248)(H,197,253)(H,198,229)(H,199,250)(H,200,236)(H,201,234)(H,202,239)(H,203,243)(H,204,252)(H,206,244)(H,207,254)(H,221,222)(H,223,224)(H,225,226)(H,256,257)(H4,165,166,172)(H4,167,168,173)(H4,169,170,174)(H,205,220,258)(H,208,238,251);(H,6,7)/t78-,79+,80+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112?,123-,124-;/m0./s1 |
| InChiKey： | InChIKey=SPFYGCCUKGSSTA-IPFQNELCSA-N |
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