CID 16076868

Z-vlf-tp3

Structural Information

Molecular Formula
C80H142N4O8
SMILES
CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)(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/C80H142N4O8/c1-8-11-14-17-20-23-26-29-32-35-38-41-44-53-60-89-66-80(67-90-61-54-45-42-39-36-33-30-27-24-21-18-15-12-9-2,68-91-62-55-46-43-40-37-34-31-28-25-22-19-16-13-10-3)84-77(86)74(64-71-56-49-47-50-57-71)81-76(85)73(63-69(4)5)82-78(87)75(70(6)7)83-79(88)92-65-72-58-51-48-52-59-72/h47-52,56-59,69-70,73-75H,8-46,53-55,60-68H2,1-7H3,(H,81,85)(H,82,87)(H,83,88)(H,84,86)/t73-,74-,75-/m0/s1
InChIKey
YIZQUPZLJBZLGD-UCBZISERSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[1,3-dihexadecoxy-2-(hexadecoxymethyl)propan-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

1287.0828 Da
Monoisotopic Mass

27.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1288.0901 353.9
[M+Na]+ 1310.0720 364.1
[M-H]- 1286.0755 350.9
[M+NH4]+ 1305.1166 369.1
[M+K]+ 1326.0460 374.6
[M+H-H2O]+ 1270.0801 354.4
[M+HCOO]- 1332.0810 334.1
[M+CH3COO]- 1346.0967 385.5
[M+Na-2H]- 1308.0575 332.5
[M]+ 1287.0823 357.4
[M]- 1287.0833 357.4
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.