CID 481648

Boc-pro(f)-val-val-ome

Structural Information

Molecular Formula
C21H36FN3O6
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CC(CN1C(=O)OC(C)(C)C)F
InChI
InChI=1S/C21H36FN3O6/c1-11(2)15(18(27)24-16(12(3)4)19(28)30-8)23-17(26)14-9-13(22)10-25(14)20(29)31-21(5,6)7/h11-16H,9-10H2,1-8H3,(H,23,26)(H,24,27)/t13?,14-,15-,16-/m0/s1
InChIKey
JIYUPULZJCWCBM-JFKGFPBSSA-N
Compound name
tert-butyl (2S)-4-fluoro-2-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.25882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.26610 205.2
[M+Na]+ 468.24804 204.9
[M-H]- 444.25154 205.0
[M+NH4]+ 463.29264 223.8
[M+K]+ 484.22198 207.0
[M+H-H2O]+ 428.25608 198.1
[M+HCOO]- 490.25702 210.2
[M+CH3COO]- 504.27267 238.3
[M+Na-2H]- 466.23349 195.7
[M]+ 445.25827 206.0
[M]- 445.25937 206.0
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.