H-ASP-THR-HIS-PHE-PRO-ILE-CYS-ILE-PHE-CYS-CYS-GLY-CYS-CYS-HIS-ARG-SER-LYS-CYS-GLY-MET-CYS-CYS-LYS-THR-OH | CAS No. 342790-21-0

S1C[C@@H](C(N[C@H](C(N[C@H](C(N[C@@H]2C(N[C@H]3C(NCC(N[C@H]4CSSC[C@H](C(N[C@@H](CC5=CN=CN5)C(N[C@H](C(N[C@@H](CO)C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CCSC)C(N[C@@H](CSSC2)C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)[C@@H](C)O)=O)CCCCN)=O)CS1)=O)=O)=O)=O)CSSC3)=O)CCCCN)=O)=O)CCCNC(=N)N)=O)=O)NC4=O)=O)=O)=O)=O)CC1=CC=CC=C1)=O)[C@@H](C)CC)=O)NC([C@H]([C@@H](C)CC)NC([C@@H]1CCCN1C([C@H](CC1=CC=CC=C1)NC([C@H](CC1=CNC=N1)NC([C@H]([C@@H](C)O)NC([C@H](CC(=O)O)N)=O)=O)=O)=O)=O)=O

InChI

InChI=1S/C113H170N34O31S9/c1-8-56(3)86-108(173)132-69(36-60-22-12-10-13-23-60)97(162)139-80-52-186-185-51-79(138-95(160)68(30-35-179-7)126-83(151)43-122-91(156)74-46-180-181-47-75(137-104(80)169)92(157)123-44-84(152)127-76-48-182-183-50-78(140-101(76)166)103(168)131-70(38-62-41-119-54-124-62)98(163)128-67(28-20-33-121-113(117)118)93(158)135-73(45-148)100(165)129-65(94(159)136-74)26-16-18-31-114)105(170)141-77(102(167)130-66(27-17-19-32-115)96(161)146-89(59(6)150)112(177)178)49-184-187-53-81(106(171)143-86)142-109(174)87(57(4)9-2)144-107(172)82-29-21-34-147(82)111(176)72(37-61-24-14-11-15-25-61)134-99(164)71(39-63-42-120-55-125-63)133-110(175)88(58(5)149)145-90(155)64(116)40-85(153)154/h10-15,22-25,41-42,54-59,64-82,86-89,148-150H,8-9,16-21,26-40,43-53,114-116H2,1-7H3,(H,119,124)(H,120,125)(H,122,156)(H,123,157)(H,126,151)(H,127,152)(H,128,163)(H,129,165)(H,130,167)(H,131,168)(H,132,173)(H,133,175)(H,134,164)(H,135,158)(H,136,159)(H,137,169)(H,138,160)(H,139,162)(H,140,166)(H,141,170)(H,142,174)(H,143,171)(H,144,172)(H,145,155)(H,146,161)(H,153,154)(H,177,178)(H4,117,118,121)/t56-,57-,58+,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75+,76-,77-,78+,79-,80-,81-,82-,86-,87-,88-,89-/m0/s1

InChIKey

BXXZVXHRVOHCGK-UVJJNKFMSA-N

LogP

1.62150

Topological Polar Surface Area

1022.2200000000006 Ų

Hydrogen Bond Donor/Acceptor

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