CID 471899

Z-cha-gser-cha-z

Structural Information

Molecular Formula
C36H50N4O7
SMILES
C1CCC(CC1)C[C@@H](C(=O)NC(CO)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C36H50N4O7/c41-23-32(39-33(42)30(21-26-13-5-1-6-14-26)37-35(44)46-24-28-17-9-3-10-18-28)40-34(43)31(22-27-15-7-2-8-16-27)38-36(45)47-25-29-19-11-4-12-20-29/h3-4,9-12,17-20,26-27,30-32,41H,1-2,5-8,13-16,21-25H2,(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t30-,31-/m0/s1
InChIKey
OPUDTTSCNXWZGK-CONSDPRKSA-N
Compound name
benzyl N-[(2S)-3-cyclohexyl-1-[[1-[[(2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

650.3679 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.37518 244.3
[M+Na]+ 673.35712 231.5
[M-H]- 649.36062 249.2
[M+NH4]+ 668.40172 239.3
[M+K]+ 689.33106 231.8
[M+H-H2O]+ 633.36516 231.7
[M+HCOO]- 695.36610 252.8
[M+CH3COO]- 709.38175 273.7
[M+Na-2H]- 671.34257 237.5
[M]+ 650.36735 235.1
[M]- 650.36845 235.1
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.