Chembl407700

Structural Information

Molecular Formula

C₉₈H₁₂₂N₂₀O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N)N

InChI

InChI=1S/C98H122N20O13/c1-5-57(4)85(100)93(126)113-76(45-56(2)3)94(127)115-41-19-35-81(115)90(123)108-74(46-58-51-102-68-28-11-6-23-63(58)68)88(121)107-73(33-16-17-39-99)87(120)110-77(48-60-53-104-70-30-13-8-25-65(60)70)95(128)116-42-20-36-82(116)91(124)109-75(47-59-52-103-69-29-12-7-24-64(59)69)89(122)111-78(49-61-54-105-71-31-14-9-26-66(61)71)96(129)117-43-21-37-83(117)92(125)112-79(50-62-55-106-72-32-15-10-27-67(62)72)97(130)118-44-22-38-84(118)98(131)114-40-18-34-80(114)86(101)119/h6-15,23-32,51-57,73-85,102-106H,5,16-22,33-50,99-100H2,1-4H3,(H2,101,119)(H,107,121)(H,108,123)(H,109,124)(H,110,120)(H,111,122)(H,112,125)(H,113,126)/t57-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m0/s1

InChIKey

HMRNJHOQCVYXOS-SLDJZXPVSA-N

Compound name

(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16197752