CID 16076865

Z-fif-tp2

Structural Information

Molecular Formula
C68H110N4O8
SMILES
CCCCCCCCCCCCCCCCOCC(CO)(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/C68H110N4O8/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-41-49-78-55-68(54-73,56-79-50-42-31-29-27-25-23-21-19-17-15-13-11-9-6-2)72-65(75)62(52-59-45-37-33-38-46-59)69-66(76)63(57(4)7-3)71-64(74)61(51-58-43-35-32-36-44-58)70-67(77)80-53-60-47-39-34-40-48-60/h32-40,43-48,57,61-63,73H,5-31,41-42,49-56H2,1-4H3,(H,69,76)(H,70,77)(H,71,74)(H,72,75)/t57-,61-,62-,63-/m0/s1
InChIKey
QXUSBNZTIJBMNX-HYKRSRPDSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[1-hexadecoxy-2-(hexadecoxymethyl)-3-hydroxypropan-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

1110.8324 Da
Monoisotopic Mass

19.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1111.8397 311.4
[M+Na]+ 1133.8216 324.3
[M-H]- 1109.8251 311.9
[M+NH4]+ 1128.8662 322.7
[M+K]+ 1149.7956 325.7
[M+H-H2O]+ 1093.8297 312.6
[M+HCOO]- 1155.8306 301.9
[M+CH3COO]- 1169.8463 355.9
[M+Na-2H]- 1131.8071 294.1
[M]+ 1110.8319 309.4
[M]- 1110.8329 309.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.