Microviridin n9

Structural Information

Molecular Formula

C₁₀₅H₁₄₇N₂₅O₃₃

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)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N

InChI

InChI=1S/C105H147N25O33/c1-50(2)41-67-91(147)114-65-33-36-80(140)162-49-73-96(152)120-71(94(150)118-67)46-81(141)163-55(8)85(101(157)122-68(42-57-27-29-59(133)30-28-57)92(148)113-62(88(144)123-72(43-56-19-10-9-11-20-56)102(158)129-39-17-25-74(129)98(154)124-73)23-14-15-37-109-76(134)45-70(119-89(65)145)93(149)117-66(104(160)161)24-16-38-110-105(107)108)128-95(151)69(44-58-47-111-61-22-13-12-21-60(58)61)121-97(153)75-26-18-40-130(75)103(159)82(51(3)4)126-90(146)64(32-35-79(138)139)116-99(155)83(53(6)131)125-77(135)48-112-87(143)63(31-34-78(136)137)115-100(156)84(54(7)132)127-86(142)52(5)106/h9-13,19-22,27-30,47,50-55,62-75,82-85,111,131-133H,14-18,23-26,31-46,48-49,106H2,1-8H3,(H,109,134)(H,112,143)(H,113,148)(H,114,147)(H,115,156)(H,116,155)(H,117,149)(H,118,150)(H,119,145)(H,120,152)(H,121,153)(H,122,157)(H,123,144)(H,124,154)(H,125,135)(H,126,146)(H,127,142)(H,128,151)(H,136,137)(H,138,139)(H,160,161)(H4,107,108,110)/t52-,53+,54+,55+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-,84-,85-/m0/s1

InChIKey

BUCFGLPCTVELLO-YNVQRWCBSA-N

Compound name

(4S)-4-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,43S)-4-benzyl-43-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-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]heptatetracontan-30-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 155801669