Microviridin 1748

Structural Information

Molecular Formula

C₈₅H₁₀₅N₁₇O₂₄

SMILES

CC1C(C(=O)NC(C(=O)NC2CCCCNC(=O)CCC(NC(=O)C3CCC(=O)OCC(C(=O)NC(CC(=O)O1)C(=O)NC(C(=O)N3)CC4=CNC5=CC=CC=C54)NC(=O)C6CCCN6C(=O)C(NC2=O)CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CC=C(C=C9)O)C(=O)O)CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C85H105N17O24/c1-44-72(101-77(115)59(28-31-69(107)108)93-78(116)61(90-45(2)103)36-46-19-23-50(104)24-20-46)83(121)95-57(16-7-9-33-86)73(111)91-56-17-8-10-34-87-68(106)30-27-58(76(114)99-65(85(123)124)37-47-21-25-51(105)26-22-47)92-75(113)60-29-32-70(109)125-43-66(100-82(120)67-18-11-35-102(67)84(122)64(98-74(56)112)39-49-42-89-55-15-6-4-13-53(49)55)81(119)97-63(40-71(110)126-44)80(118)96-62(79(117)94-60)38-48-41-88-54-14-5-3-12-52(48)54/h3-6,12-15,19-26,41-42,44,56-67,72,88-89,104-105H,7-11,16-18,27-40,43,86H2,1-2H3,(H,87,106)(H,90,103)(H,91,111)(H,92,113)(H,93,116)(H,94,117)(H,95,121)(H,96,118)(H,97,119)(H,98,112)(H,99,114)(H,100,120)(H,101,115)(H,107,108)(H,123,124)

InChIKey

QARQTEUPQKNPHW-UHFFFAOYSA-N

Compound name

4-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[33-(4-aminobutyl)-44-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]-4,22-bis(1H-indol-3-ylmethyl)-29-methyl-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 168010346