Chembl413133

Structural Information

Molecular Formula

C₉₃H₁₁₅N₁₉O₁₂

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)N)N

InChI

InChI=1S/C93H115N19O12/c1-5-54(4)81(95)89(120)108-73(42-53(2)3)90(121)110-39-19-34-78(110)86(117)103-71(43-55-48-97-65-27-11-6-22-60(55)65)84(115)102-70(32-16-17-37-94)83(114)105-74(45-57-50-99-67-29-13-8-24-62(57)67)92(123)111-40-20-35-79(111)87(118)104-72(44-56-49-98-66-28-12-7-23-61(56)66)85(116)106-75(46-58-51-100-68-30-14-9-25-63(58)68)93(124)112-41-21-36-80(112)88(119)107-76(91(122)109-38-18-33-77(109)82(96)113)47-59-52-101-69-31-15-10-26-64(59)69/h6-15,22-31,48-54,70-81,97-101H,5,16-21,32-47,94-95H2,1-4H3,(H2,96,113)(H,102,115)(H,103,117)(H,104,118)(H,105,114)(H,106,116)(H,107,119)(H,108,120)/t54-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-/m0/s1

InChIKey

QMZBIGQHJJWRFH-WAFQDQOASA-N

Compound name

(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-carboxamide

Related CIDs

• CID 16197754