Cyclic-(ricrcicgrricrcicgr)

Structural Information

Molecular Formula

C₈₂H₁₄₆N₃₆O₁₈S₆

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N4)[C@@H](C)CC)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CCCNC(=N)N)CCCNC(=N)N)[C@@H](C)CC

InChI

InChI=1S/C82H146N36O18S6/c1-9-39(5)57-75(135)113-51-35-139-137-33-49(61(121)101-31-55(119)103-43(19-13-25-95-77(83)84)63(123)105-47(67(127)115-57)23-17-29-99-81(91)92)111-73(133)59(41(7)11-3)118-72(132)54-38-142-141-37-53(109-65(125)45(107-69(51)129)21-15-27-97-79(87)88)71(131)117-60(42(8)12-4)74(134)112-50-34-138-140-36-52(70(130)108-46(66(126)110-54)22-16-28-98-80(89)90)114-76(136)58(40(6)10-2)116-68(128)48(24-18-30-100-82(93)94)106-64(124)44(20-14-26-96-78(85)86)104-56(120)32-102-62(50)122/h39-54,57-60H,9-38H2,1-8H3,(H,101,121)(H,102,122)(H,103,119)(H,104,120)(H,105,123)(H,106,124)(H,107,129)(H,108,130)(H,109,125)(H,110,126)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,127)(H,116,128)(H,117,131)(H,118,132)(H4,83,84,95)(H4,85,86,96)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1

InChIKey

LGJISGRGLYNPKD-YOZQTRRISA-N

Compound name

1-[3-[(1R,4S,7R,10S,13R,16S,22R,25S,28R,31S,34R,37S,40S,43S,49R,52S)-10,25,37,52-tetrakis[(2S)-butan-2-yl]-4,13,31,40,43-pentakis(3-carbamimidamidopropyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaoxo-56,57,60,61,64,65-hexathia-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-octadecazatetracyclo[26.26.4.47,22.434,49]hexahexacontan-16-yl]propyl]guanidine

Related CIDs

• CID 16131992