CID 481649

Boc-hyp-val-val-ome

Structural Information

Molecular Formula
C21H37N3O7
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)O
InChI
InChI=1S/C21H37N3O7/c1-11(2)15(18(27)23-16(12(3)4)19(28)30-8)22-17(26)14-9-13(25)10-24(14)20(29)31-21(5,6)7/h11-16,25H,9-10H2,1-8H3,(H,22,26)(H,23,27)/t13?,14-,15-,16-/m0/s1
InChIKey
OVOPZFAUGCOLIF-JFKGFPBSSA-N
Compound name
tert-butyl (2S)-4-hydroxy-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

443.26315 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.27043 204.8
[M+Na]+ 466.25237 203.7
[M-H]- 442.25587 204.6
[M+NH4]+ 461.29697 221.8
[M+K]+ 482.22631 206.4
[M+H-H2O]+ 426.26041 198.7
[M+HCOO]- 488.26135 208.3
[M+CH3COO]- 502.27700 235.9
[M+Na-2H]- 464.23782 195.7
[M]+ 443.26260 206.3
[M]- 443.26370 206.3
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.