Nsc672460

Structural Information

Molecular Formula

C₈₆H₉₇N₁₃O₁₇S₂

SMILES

CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)O)NC(=O)C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)C(CC4=CN(C5=CC=CC=C54)C=O)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81)O

InChI

InChI=1S/C86H97N13O17S2/c1-50(101)75(77(87)105)95-83(111)73(48-118-98(6)53(4)104)93-84(112)76(51(2)102)96-78(106)68(38-23-24-40-88-85(113)115-45-66-62-34-17-13-30-58(62)59-31-14-18-35-63(59)66)89-81(109)71(43-56-44-99(49-100)74-39-22-21-29-57(56)74)91-79(107)69(41-54-25-9-7-10-26-54)90-82(110)72(47-117-97(5)52(3)103)92-80(108)70(42-55-27-11-8-12-28-55)94-86(114)116-46-67-64-36-19-15-32-60(64)61-33-16-20-37-65(61)67/h7-22,25-37,39,44,49-51,66-73,75-76,101-102H,23-24,38,40-43,45-48H2,1-6H3,(H2,87,105)(H,88,113)(H,89,109)(H,90,110)(H,91,107)(H,92,108)(H,93,112)(H,94,114)(H,95,111)(H,96,106)

InChIKey

VGJPDYIHLLBOFP-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxohexan-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 16129802