Nsc672463

Structural Information

Molecular Formula

C₈₆H₁₀₁N₁₃O₁₇S₂

SMILES

CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C=O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C86H101N13O17S2/c1-56(113-49-62-33-17-9-18-34-62)75(77(87)103)95-83(109)73(54-118-98(6)59(4)102)93-84(110)76(57(2)114-50-63-35-19-10-20-36-63)96-78(104)68(42-27-28-44-88-85(111)115-51-64-37-21-11-22-38-64)89-81(107)71(47-66-48-99(55-100)74-43-26-25-41-67(66)74)91-79(105)69(45-60-29-13-7-14-30-60)90-82(108)72(53-117-97(5)58(3)101)92-80(106)70(46-61-31-15-8-16-32-61)94-86(112)116-52-65-39-23-12-24-40-65/h7-26,29-41,43,48,55-57,68-73,75-76H,27-28,42,44-47,49-54H2,1-6H3,(H2,87,103)(H,88,111)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,110)(H,94,112)(H,95,109)(H,96,104)

InChIKey

YEHRJZGXYYZHST-UHFFFAOYSA-N

Compound name

benzyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxybutan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-(1-formylindol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Related CIDs

• CID 16129803