CID 16076866

Z-fif-tp3

Structural Information

Molecular Formula
C84H142N4O8
SMILES
CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)(COCCCCCCCCCCCCCCCC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C84H142N4O8/c1-6-10-13-16-19-22-25-28-31-34-37-40-43-55-64-93-70-84(71-94-65-56-44-41-38-35-32-29-26-23-20-17-14-11-7-2,72-95-66-57-45-42-39-36-33-30-27-24-21-18-15-12-8-3)88-81(90)78(68-75-60-51-47-52-61-75)85-82(91)79(73(5)9-4)87-80(89)77(67-74-58-49-46-50-59-74)86-83(92)96-69-76-62-53-48-54-63-76/h46-54,58-63,73,77-79H,6-45,55-57,64-72H2,1-5H3,(H,85,91)(H,86,92)(H,87,89)(H,88,90)/t73-,77-,78-,79-/m0/s1
InChIKey
MGFGNEZIQXRXCW-CVAVIIPPSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[1,3-dihexadecoxy-2-(hexadecoxymethyl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1335.0828 Da
Monoisotopic Mass

27.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1336.0901 349.2
[M+Na]+ 1358.0720 360.8
[M-H]- 1334.0755 344.9
[M+NH4]+ 1353.1166 363.2
[M+K]+ 1374.0460 368.3
[M+H-H2O]+ 1318.0801 350.9
[M+HCOO]- 1380.0810 336.4
[M+CH3COO]- 1394.0967 389.6
[M+Na-2H]- 1356.0575 328.6
[M]+ 1335.0823 352.8
[M]- 1335.0833 352.8
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.