CID 16129789

Nsc668433

Structural Information

Molecular Formula
C83H82N14O10
SMILES
CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C83H82N14O10/c1-83(2,3)107-82(105)97-73(38-52-45-89-66-31-17-10-24-59(52)66)80(103)95-71(36-50-43-87-64-29-15-8-22-57(50)64)78(101)93-69(34-48-41-85-62-27-13-6-20-55(48)62)76(99)91-68(33-47-40-84-61-26-12-5-19-54(47)61)75(98)92-70(35-49-42-86-63-28-14-7-21-56(49)63)77(100)94-72(37-51-44-88-65-30-16-9-23-58(51)65)79(102)96-74(81(104)106-4)39-53-46-90-67-32-18-11-25-60(53)67/h5-32,40-46,68-74,84-90H,33-39H2,1-4H3,(H,91,99)(H,92,98)(H,93,101)(H,94,100)(H,95,103)(H,96,102)(H,97,105)
InChIKey
BJTSJZBHAYUPCW-UHFFFAOYSA-N
Compound name
methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1434.6338 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1435.6411 281.5
[M+Na]+ 1457.6230 293.0
[M-H]- 1433.6265 289.0
[M+NH4]+ 1452.6676 289.2
[M+K]+ 1473.5970 295.5
[M+H-H2O]+ 1417.6311 261.4
[M+HCOO]- 1479.6320 288.5
[M+CH3COO]- 1493.6477 289.7
[M+Na-2H]- 1455.6085 293.2
[M]+ 1434.6333 337.0
[M]- 1434.6343 337.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.