2461524-68-3

Structural Information

Molecular Formula

C₈₆H₁₀₀N₁₀O₁₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79

InChI

InChI=1S/C86H100N10O14/c1-11-54(6)75(82(106)88-55(7)76(100)87-49-73(98)99)94-79(103)68(46-52(2)3)90-78(102)70(48-57-50-96(84(108)110-85(8,9)10)71-43-29-28-38-61(57)71)91-77(101)67(44-45-72(97)95-86(58-32-18-13-19-33-58,59-34-20-14-21-35-59)60-36-22-15-23-37-60)89-81(105)74(53(4)5)93-80(104)69(47-56-30-16-12-17-31-56)92-83(107)109-51-66-64-41-26-24-39-62(64)63-40-25-27-42-65(63)66/h12-43,50,52-55,66-70,74-75H,11,44-49,51H2,1-10H3,(H,87,100)(H,88,106)(H,89,105)(H,90,102)(H,91,101)(H,92,107)(H,93,104)(H,94,103)(H,95,97)(H,98,99)/t54-,55-,67-,68-,69-,70-,74-,75-/m0/s1

InChIKey

IKOALVCTHHAUNT-GDSGVQMASA-N

Compound name

2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetic acid

Related CIDs

• CID 171390939