Chembl414660

Structural Information

Molecular Formula

C₉₂H₁₁₆N₂₀O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](C)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N)N

InChI

InChI=1S/C92H116N20O13/c1-8-51(4)79(94)90(123)109-71(39-50(2)3)85(118)101-52(5)81(114)105-74(42-57-47-98-67-30-16-11-25-62(57)67)88(121)104-70(33-19-20-36-93)84(117)107-72(40-55-45-96-65-28-14-9-23-60(55)65)86(119)102-53(6)82(115)106-75(43-58-48-99-68-31-17-12-26-63(58)68)89(122)108-73(41-56-46-97-66-29-15-10-24-61(56)66)87(120)103-54(7)83(116)110-76(44-59-49-100-69-32-18-13-27-64(59)69)91(124)112-38-22-35-78(112)92(125)111-37-21-34-77(111)80(95)113/h9-18,23-32,45-54,70-79,96-100H,8,19-22,33-44,93-94H2,1-7H3,(H2,95,113)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,114)(H,106,115)(H,107,117)(H,108,122)(H,109,123)(H,110,116)/t51-,52-,53-,54-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1

InChIKey

CMKXGOWNAITJDS-ILYJJVFUSA-N

Compound name

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

Related CIDs

• CID 16197757