Chembl268325

Structural Information

Molecular Formula

C₉₂H₁₁₁N₁₉O₁₂

SMILES

CC(C)C[C@@H](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/C92H111N19O12/c1-53(2)42-64(94)88(119)108-38-16-32-77(108)85(116)102-71(43-54-48-96-65-25-8-3-20-59(54)65)83(114)101-70(30-13-14-36-93)82(113)104-73(45-56-50-98-67-27-10-5-22-61(56)67)89(120)109-39-17-33-78(109)86(117)103-72(44-55-49-97-66-26-9-4-21-60(55)66)84(115)105-74(46-57-51-99-68-28-11-6-23-62(57)68)90(121)110-40-18-34-79(110)87(118)106-75(47-58-52-100-69-29-12-7-24-63(58)69)91(122)111-41-19-35-80(111)92(123)107-37-15-31-76(107)81(95)112/h3-12,20-29,48-53,64,70-80,96-100H,13-19,30-47,93-94H2,1-2H3,(H2,95,112)(H,101,114)(H,102,116)(H,103,117)(H,104,113)(H,105,115)(H,106,118)/t64-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1

InChIKey

YPUZTTANYRGSJG-HZVRVOJDSA-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-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 16197753