Microviridin sd1684

Structural Information

Molecular Formula

C₇₆H₁₀₄N₁₈O₂₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)NC([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CC3=CC=C(C=C3)O)CO)CC(=O)O)CC4=CNC5=CC=CC=C54)CCC(=O)OC)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)O)NC(=O)C)O

InChI

InChI=1S/C76H104N18O26/c1-36(82-70(113)58(37(2)96)83-39(4)98)62(105)92-59(38(3)97)71(114)86-48(15-10-28-80-76(77)78)63(106)84-47-14-8-9-27-79-73(116)61(104)60(72(115)90-53(75(118)119)31-41-19-23-44(100)24-20-41)93-65(108)49(25-26-57(103)120-5)85-66(109)50(32-42-34-81-46-13-7-6-12-45(42)46)87-67(110)51(33-56(101)102)88-68(111)54(35-95)91-69(112)55-16-11-29-94(55)74(117)52(89-64(47)107)30-40-17-21-43(99)22-18-40/h6-7,12-13,17-24,34,36-38,47-55,58-61,81,95-97,99-100,104H,8-11,14-16,25-33,35H2,1-5H3,(H,79,116)(H,82,113)(H,83,98)(H,84,106)(H,85,109)(H,86,114)(H,87,110)(H,88,111)(H,89,107)(H,90,115)(H,91,112)(H,92,105)(H,93,108)(H,101,102)(H,118,119)(H4,77,78,80)/t36-,37+,38+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59?,60-,61-/m0/s1

InChIKey

BLPICGNXOFWGDQ-AYVZUAPGSA-N

Compound name

(2S)-2-[[(3S,6S,13S,14S,17S,20S,23S,26S,29S)-6-[[(2S)-2-[[(3R)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-23-(carboxymethyl)-13-hydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-20-(1H-indol-3-ylmethyl)-17-(3-methoxy-3-oxopropyl)-2,5,12,16,19,22,25,28-octaoxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriacontane-14-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 155801659