Microviridin n5

Structural Information

Molecular Formula

C₉₁H₁₂₅N₂₁O₂₆

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)N

InChI

InChI=1S/C91H125N21O26/c1-45(2)37-59-78(123)99-57-30-32-70(118)137-44-65-83(128)104-63(81(126)102-59)42-71(119)138-48(6)74(110-82(127)61(40-51-43-97-54-20-11-10-19-53(51)54)105-84(129)67-24-16-36-112(67)89(134)73(46(3)4)109-77(122)56(29-31-69(116)117)100-86(131)72(92)47(5)113)87(132)106-60(38-50-25-27-52(114)28-26-50)79(124)98-55(75(120)107-64(39-49-17-8-7-9-18-49)88(133)111-35-15-23-66(111)85(130)108-65)21-12-13-33-95-68(115)41-62(103-76(57)121)80(125)101-58(90(135)136)22-14-34-96-91(93)94/h7-11,17-20,25-28,43,45-48,55-67,72-74,97,113-114H,12-16,21-24,29-42,44,92H2,1-6H3,(H,95,115)(H,98,124)(H,99,123)(H,100,131)(H,101,125)(H,102,126)(H,103,121)(H,104,128)(H,105,129)(H,106,132)(H,107,120)(H,108,130)(H,109,122)(H,110,127)(H,116,117)(H,135,136)(H4,93,94,96)/t47-,48-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,72+,73+,74+/m1/s1

InChIKey

UXTWYEYETQOGND-KTRRIIGVSA-N

Compound name

(4S)-4-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-[[(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]-5-oxopentanoic acid

Related CIDs

• CID 155802367