Microviridin 1739

Structural Information

Molecular Formula

C₈₂H₁₀₂N₁₈O₂₅

SMILES

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)O)C(=O)NC2COC(=O)CC3C(=O)NC(C(=O)NC4CCC(=O)OCC(C(=O)N3)NC(=O)C5CCCN5C(=O)C(NC(=O)C(CCCCNC(=O)CCC(NC4=O)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)O)NC(=O)C(NC2=O)CCCNC(=N)N)CC7=CC=C(C=C7)O)CC8=CNC9=CC=CC=C98

InChI

InChI=1S/C82H102N18O25/c1-42(101)88-57(34-43-13-19-47(102)20-14-43)74(115)92-55(26-29-66(106)107)73(114)98-62-41-125-68(109)38-59-76(117)94-58(37-46-39-87-51-9-3-2-8-50(46)51)75(116)93-56-27-30-67(108)124-40-63(78(119)95-59)99-79(120)64-12-7-33-100(64)80(121)60(35-44-15-21-48(103)22-16-44)96-70(111)52(89-69(110)53(90-77(62)118)11-6-32-86-82(83)84)10-4-5-31-85-65(105)28-25-54(91-71(56)112)72(113)97-61(81(122)123)36-45-17-23-49(104)24-18-45/h2-3,8-9,13-24,39,52-64,87,102-104H,4-7,10-12,25-38,40-41H2,1H3,(H,85,105)(H,88,101)(H,89,110)(H,90,118)(H,91,112)(H,92,115)(H,93,116)(H,94,117)(H,95,119)(H,96,111)(H,97,113)(H,98,114)(H,99,120)(H,106,107)(H,122,123)(H4,83,84,86)

InChIKey

WRRADDIJVYJTHS-UHFFFAOYSA-N

Compound name

4-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[33-(3-carbamimidamidopropyl)-44-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-2,5,11,16,21,24,27,31,34,41,46,48-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,45,47-decazatetracyclo[17.16.11.213,25.06,10]octatetracontan-30-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 168010386