Microviridin b

Structural Information

Molecular Formula

C₈₄H₁₀₆N₁₆O₂₄

SMILES

C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)CC[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)CC4=CC5=CC=CC=C5N4)NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC2=O)CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)O)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC9=CC=CC=C9)NC(=O)C

InChI

InChI=1S/C84H106N16O24/c1-43(2)34-58-76(113)89-55-18-11-12-32-85-66(105)30-28-56(75(112)96-63(84(121)122)37-49-22-26-53(104)27-23-49)90-74(111)57-29-31-68(107)123-42-64(97-80(117)65-19-13-33-100(65)83(120)62(95-73(55)110)36-48-20-24-52(103)25-21-48)79(116)93-61(78(115)92-60(77(114)91-57)39-51-38-50-16-9-10-17-54(50)88-51)40-69(108)124-45(4)71(82(119)94-58)99-81(118)70(44(3)101)98-67(106)41-86-72(109)59(87-46(5)102)35-47-14-7-6-8-15-47/h6-10,14-17,20-27,38,43-45,55-65,70-71,88,101,103-104H,11-13,18-19,28-37,39-42H2,1-5H3,(H,85,105)(H,86,109)(H,87,102)(H,89,113)(H,90,111)(H,91,114)(H,92,115)(H,93,116)(H,94,119)(H,95,110)(H,96,112)(H,97,117)(H,98,106)(H,99,118)(H,121,122)/t44-,45-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,70+,71+/m1/s1

InChIKey

SSXIRHWTKBSKKV-DBBDCZJTSA-N

Compound name

(2S)-2-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,44S)-30-[[(2S,3R)-2-[[2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-2-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 16138909