CID 16076867

Z-vlf-tp2

Structural Information

Molecular Formula
C64H110N4O8
SMILES
CCCCCCCCCCCCCCCCOCC(CO)(COCCCCCCCCCCCCCCCC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C64H110N4O8/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-74-51-64(50-69,52-75-46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-2)68-61(71)58(48-55-41-35-33-36-42-55)65-60(70)57(47-53(3)4)66-62(72)59(54(5)6)67-63(73)76-49-56-43-37-34-38-44-56/h33-38,41-44,53-54,57-59,69H,7-32,39-40,45-52H2,1-6H3,(H,65,70)(H,66,72)(H,67,73)(H,68,71)/t57-,58-,59-/m0/s1
InChIKey
XEVBNFUBLRAXAW-CSFIRTRJSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-hexadecoxy-2-(hexadecoxymethyl)-3-hydroxypropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

1062.8324 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1063.8397 314.3
[M+Na]+ 1085.8216 325.8
[M-H]- 1061.8251 316.1
[M+NH4]+ 1080.8662 326.8
[M+K]+ 1101.7956 330.2
[M+H-H2O]+ 1045.8297 314.4
[M+HCOO]- 1107.8306 297.9
[M+CH3COO]- 1121.8463 350.9
[M+Na-2H]- 1083.8071 296.5
[M]+ 1062.8319 312.2
[M]- 1062.8329 312.2
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.