Microviridin 1688

Structural Information

Molecular Formula

C₇₉H₁₀₅N₁₉O₂₃

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=CC=C(C=C7)O)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)O)CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C79H105N19O23/c1-39(2)31-53-70(110)87-50-13-7-8-28-83-62(103)26-24-51(69(109)95-58(78(118)119)33-43-18-22-46(101)23-19-43)88-68(108)52-25-27-63(104)120-38-59(96-75(115)60-15-10-30-98(60)77(117)57(94-67(50)107)32-42-16-20-45(100)21-17-42)74(114)92-56(72(112)90-54(71(111)89-52)34-44-37-85-48-12-6-5-11-47(44)48)36-64(105)121-40(3)65(76(116)93-53)97-73(113)55(35-61(80)102)91-66(106)49(86-41(4)99)14-9-29-84-79(81)82/h5-6,11-12,16-23,37,39-40,49-60,65,85,100-101H,7-10,13-15,24-36,38H2,1-4H3,(H2,80,102)(H,83,103)(H,86,99)(H,87,110)(H,88,108)(H,89,111)(H,90,112)(H,91,106)(H,92,114)(H,93,116)(H,94,107)(H,95,109)(H,96,115)(H,97,113)(H,118,119)(H4,81,82,84)

InChIKey

LOACSEHFEBFOBM-UHFFFAOYSA-N

Compound name

2-[[30-[[2-[(2-acetamido-5-carbamimidamidopentanoyl)amino]-4-amino-4-oxobutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-33-(2-methylpropyl)-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]octatetracontane-44-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 171990355