Microviridin n3

Structural Information

Molecular Formula

C₈₂H₁₁₁N₁₉O₂₁

SMILES

C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)C[C@H](NC(=O)[C@@H]3CCC(=O)OC[C@@H](C(=O)N[C@@H](CC(=O)O1)C(=O)N[C@H](C(=O)N3)CC(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC2=O)CC5=CC=CC=C5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@@H]9CCCN9C(=O)[C@H](C(C)C)N

InChI

InChI=1S/C82H111N19O21/c1-42(2)34-54-70(108)90-52-28-29-64(104)121-41-60-75(113)94-58(73(111)92-54)39-65(105)122-44(5)67(99-74(112)56(37-47-40-88-50-19-10-9-18-49(47)50)95-76(114)62-23-15-33-101(62)80(118)66(83)43(3)4)78(116)96-55(35-46-24-26-48(102)27-25-46)71(109)89-51(68(106)97-59(36-45-16-7-6-8-17-45)79(117)100-32-14-22-61(100)77(115)98-60)20-11-12-30-86-63(103)38-57(93-69(52)107)72(110)91-53(81(119)120)21-13-31-87-82(84)85/h6-10,16-19,24-27,40,42-44,51-62,66-67,88,102H,11-15,20-23,28-39,41,83H2,1-5H3,(H,86,103)(H,89,109)(H,90,108)(H,91,110)(H,92,111)(H,93,107)(H,94,113)(H,95,114)(H,96,116)(H,97,106)(H,98,115)(H,99,112)(H,119,120)(H4,84,85,87)/t44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,66+,67+/m1/s1

InChIKey

UIBNBIYGQJPKAS-DHYMJBHJSA-N

Compound name

(2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,43S)-30-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-benzyl-33-[(4-hydroxyphenyl)methyl]-29-methyl-22-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decazatetracyclo[17.16.10.213,25.06,10]heptatetracontane-43-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 155802358