Nsc672462

Structural Information

Molecular Formula

C₈₅H₁₀₁N₁₃O₁₆S₂

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=CNC4=CC=CC=C43)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/C85H101N13O16S2/c1-55(111-49-61-33-17-9-18-34-61)74(76(86)101)95-82(107)73(54-116-98(6)58(4)100)93-83(108)75(56(2)112-50-62-35-19-10-20-36-62)96-77(102)68(43-27-28-44-87-84(109)113-51-63-37-21-11-22-38-63)89-80(105)71(47-65-48-88-67-42-26-25-41-66(65)67)91-78(103)69(45-59-29-13-7-14-30-59)90-81(106)72(53-115-97(5)57(3)99)92-79(104)70(46-60-31-15-8-16-32-60)94-85(110)114-52-64-39-23-12-24-40-64/h7-26,29-42,48,55-56,68-75,88H,27-28,43-47,49-54H2,1-6H3,(H2,86,101)(H,87,109)(H,89,105)(H,90,106)(H,91,103)(H,92,104)(H,93,108)(H,94,110)(H,95,107)(H,96,102)

InChIKey

JIYFPQBWNJZYOY-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-(1H-indol-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 16130239