Microviridin n4

Structural Information

Molecular Formula

C₈₇H₁₁₈N₂₀O₂₄

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)N

InChI

InChI=1S/C87H118N20O24/c1-44(2)36-57-75(117)95-55-29-31-68(112)130-43-63-80(122)99-61(78(120)97-57)41-69(113)131-46(5)71(105-79(121)59(39-49-42-93-53-19-10-9-18-51(49)53)100-81(123)65-23-15-35-107(65)85(127)70(45(3)4)104-72(114)52(88)28-30-67(110)111)83(125)101-58(37-48-24-26-50(108)27-25-48)76(118)94-54(73(115)102-62(38-47-16-7-6-8-17-47)84(126)106-34-14-22-64(106)82(124)103-63)20-11-12-32-91-66(109)40-60(98-74(55)116)77(119)96-56(86(128)129)21-13-33-92-87(89)90/h6-10,16-19,24-27,42,44-46,52,54-65,70-71,93,108H,11-15,20-23,28-41,43,88H2,1-5H3,(H,91,109)(H,94,118)(H,95,117)(H,96,119)(H,97,120)(H,98,116)(H,99,122)(H,100,123)(H,101,125)(H,102,115)(H,103,124)(H,104,114)(H,105,121)(H,110,111)(H,128,129)(H4,89,90,92)/t46-,52+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,70+,71+/m1/s1

InChIKey

CSSLOCPSDAMIML-IUVQFDFLSA-N

Compound name

(4S)-4-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 155802018