(cyclic)-[ctkwltewipwtwac]

Structural Information

Molecular Formula

C₉₃H₁₂₄N₂₀O₂₁S₂

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CCC(=O)O)[C@@H](C)O)CC(C)C)CC5=CNC6=CC=CC=C65)CCCCN)[C@@H](C)O)N)C(=O)O)C)CC7=CNC8=CC=CC=C87)[C@@H](C)O)CC9=CNC1=CC=CC=C19

InChI

InChI=1S/C93H124N20O21S2/c1-9-47(4)75-92(132)113-34-20-30-73(113)88(128)106-71(39-55-43-99-64-28-17-13-24-59(55)64)87(127)112-78(51(8)116)91(131)107-68(36-52-40-96-61-25-14-10-21-56(52)61)83(123)100-48(5)79(119)108-72(93(133)134)45-136-135-44-60(95)80(120)110-76(49(6)114)89(129)101-65(29-18-19-33-94)81(121)104-69(37-53-41-97-62-26-15-11-22-57(53)62)84(124)103-67(35-46(2)3)85(125)111-77(50(7)115)90(130)102-66(31-32-74(117)118)82(122)105-70(86(126)109-75)38-54-42-98-63-27-16-12-23-58(54)63/h10-17,21-28,40-43,46-51,60,65-73,75-78,96-99,114-116H,9,18-20,29-39,44-45,94-95H2,1-8H3,(H,100,123)(H,101,129)(H,102,130)(H,103,124)(H,104,121)(H,105,122)(H,106,128)(H,107,131)(H,108,119)(H,109,126)(H,110,120)(H,111,125)(H,112,127)(H,117,118)(H,133,134)/t47-,48-,49+,50+,51+,60-,65-,66-,67-,68-,69-,70-,71-,72-,73-,75-,76-,77-,78-/m0/s1

InChIKey

WYONDBDNLONIAD-YVEULCDVSA-N

Compound name

(3S,6S,9S,12S,15S,18S,21S,24S,27R,32R,35S,38S,41S,44S,47S)-27-amino-21-(4-aminobutyl)-3-[(2S)-butan-2-yl]-9-(2-carboxyethyl)-12,24,41-tris[(1R)-1-hydroxyethyl]-6,18,38,44-tetrakis(1H-indol-3-ylmethyl)-35-methyl-15-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,34,37,40,43,46-tetradecaoxo-29,30-dithia-1,4,7,10,13,16,19,22,25,33,36,39,42,45-tetradecazabicyclo[45.3.0]pentacontane-32-carboxylic acid

Related CIDs

• CID 71597717