Retrocyclin-1

Structural Information

Molecular Formula

C₇₄H₁₂₈N₃₀O₁₈S₆

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N1)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@H](C(=O)N3)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC4=O)CCCNC(=N)N)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@@H](NC2=O)CCCNC(=N)N)[C@@H](C)CC

InChI

InChI=1S/C74H128N30O18S6/c1-9-35(5)53-67(119)99-45-31-125-123-29-43(59(111)89-25-49(105)91-39(17-13-21-83-71(75)76)57(109)87-27-51(107)101-53)97-69(121)55(37(7)11-3)104-66(118)48-34-128-127-33-47(95-61(113)41(93-63(45)115)19-15-23-85-73(79)80)65(117)103-56(38(8)12-4)70(122)98-44-30-124-126-32-46(64(116)94-42(62(114)96-48)20-16-24-86-74(81)82)100-68(120)54(36(6)10-2)102-52(108)28-88-58(110)40(18-14-22-84-72(77)78)92-50(106)26-90-60(44)112/h35-48,53-56H,9-34H2,1-8H3,(H,87,109)(H,88,110)(H,89,111)(H,90,112)(H,91,105)(H,92,106)(H,93,115)(H,94,116)(H,95,113)(H,96,114)(H,97,121)(H,98,122)(H,99,119)(H,100,120)(H,101,107)(H,102,108)(H,103,117)(H,104,118)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-,54-,55-,56-/m0/s1

InChIKey

HKPMSXLQWRKULW-QYJCGYSGSA-N

Compound name

1-[3-[(1R,4S,7R,10S,16S,22R,25S,28R,31S,34R,37S,43S,49R,52S)-10,25,37,52-tetrakis[(2S)-butan-2-yl]-4,31,43-tris(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 16130540