Basic Information |
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| Product Name： | (LYS(BIOTINYL)29)-CORTISTATIN-29 (RAT) TRIFLUOROACETATE SALT |
| English Synonyms： | PYR-GLU-ARG-PRO-PRO-LEU-GLN-GLN-PRO-PRO-HIS-ARG-ASP-LYS-LYS-PRO-CYS-LYS-ASN-PHE-PHE-TRP-LYS-THR-PHE-SER-SER-CYS-LYS(BIOTINYL)-OH (DISULFIDE BOND) TRIFLUOROACETATE SALT ; (LYS(BIOTINYL)29)-CORTISTATIN-29 (RAT) TRIFLUOROACETATE SALT |
| MDL Number.： | MFCD18782411 |
| H bond acceptor： | 91 |
| H bond donor： | 48 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@H]5CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC5=O)CCCCN)CC(=O)N)Cc6ccccc6)Cc7ccccc7)Cc8c[nH]c9c8cccc9)CCCCN)[C@@H](C)O)Cc1ccccc1)CO)CO)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)N1.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C171H254N48O43S3.C2HF3O2/c1-92(2)76-112(205-159(251)126-50-30-72-216(126)166(258)128-52-32-74-218(128)164(256)109(48-28-70-186-170(181)182)197-145(237)107(59-63-136(228)229)194-143(235)105-58-62-135(227)189-105)147(239)195-106(56-60-131(176)223)144(236)198-110(57-61-132(177)224)165(257)219-75-33-53-129(219)167(259)217-73-31-51-127(217)160(252)206-117(81-98-85-183-91-188-98)152(244)192-104(47-27-69-185-169(179)180)142(234)204-119(83-137(230)231)154(246)190-101(42-17-22-64-172)140(232)196-108(45-20-25-67-175)163(255)215-71-29-49-125(215)161(253)211-124-90-265-264-89-123(158(250)199-111(168(260)261)46-21-26-68-184-134(226)55-16-15-54-130-139-122(88-263-130)212-171(262)214-139)210-156(248)121(87-221)209-155(247)120(86-220)208-150(242)115(79-96-38-11-6-12-39-96)207-162(254)138(93(3)222)213-146(238)103(44-19-24-66-174)191-151(243)116(80-97-84-187-100-41-14-13-40-99(97)100)202-149(241)114(78-95-36-9-5-10-37-95)200-148(240)113(77-94-34-7-4-8-35-94)201-153(245)118(82-133(178)225)203-141(233)102(193-157(124)249)43-18-23-65-173;3-2(4,5)1(6)7/h4-14,34-41,84-85,91-93,101-130,138-139,187,220-222H,15-33,42-83,86-90,172-175H2,1-3H3,(H2,176,223)(H2,177,224)(H2,178,225)(H,183,188)(H,184,226)(H,189,227)(H,190,246)(H,191,243)(H,192,244)(H,193,249)(H,194,235)(H,195,239)(H,196,232)(H,197,237)(H,198,236)(H,199,250)(H,200,240)(H,201,245)(H,202,241)(H,203,233)(H,204,234)(H,205,251)(H,206,252)(H,207,254)(H,208,242)(H,209,247)(H,210,248)(H,211,253)(H,213,238)(H,228,229)(H,230,231)(H,260,261)(H4,179,180,185)(H4,181,182,186)(H2,212,214,262);(H,6,7)/t93-,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,138+,139+;/m1./s1 |
| InChiKey： | InChIKey=PPUNMBHRUYXPNY-BGFIQLRTSA-N |
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