Cyclic-(gvcrclcrrgvcrcicrr)

Structural Information

Molecular Formula

C₈₀H₁₄₂N₃₆O₁₈S₆

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)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N4)C(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC3=O)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CCCNC(=N)N)C(C)C

InChI

InChI=1S/C80H142N36O18S6/c1-9-40(8)58-74(134)113-52-35-139-138-34-51(112-73(133)57(39(6)7)115-55(118)30-100-60(120)42(17-11-23-94-76(83)84)102-62(122)44(104-69(52)129)19-13-25-96-78(87)88)67(127)105-45(20-14-26-97-79(89)90)63(123)108-49-32-136-140-36-53(71(131)116-58)109-64(124)46(21-15-27-98-80(91)92)106-68(128)50-33-137-135-31-48(110-65(125)47(28-37(2)3)107-70(49)130)66(126)103-43(18-12-24-95-77(85)86)61(121)101-41(16-10-22-93-75(81)82)59(119)99-29-54(117)114-56(38(4)5)72(132)111-50/h37-53,56-58H,9-36H2,1-8H3,(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,126)(H,104,129)(H,105,127)(H,106,128)(H,107,130)(H,108,123)(H,109,124)(H,110,125)(H,111,132)(H,112,133)(H,113,134)(H,114,117)(H,115,118)(H,116,131)(H4,81,82,93)(H4,83,84,94)(H4,85,86,95)(H4,87,88,96)(H4,89,90,97)(H4,91,92,98)/t40-,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-/m0/s1

InChIKey

ADWJKLSRYGGKHB-CATILVRHSA-N

Compound name

1-[3-[(1R,4S,7R,10S,16S,19S,22R,25S,28R,31S,34R,37S,43R,46S,49R,52S)-25-[(2S)-butan-2-yl]-4,16,31,43,46-pentakis(3-carbamimidamidopropyl)-52-(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaoxo-10,37-di(propan-2-yl)-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-19-yl]propyl]guanidine

Related CIDs

• CID 16131989