CID 470817

Cbz-phe- .psi.[(r,r)-cis-epoxide-c(=o)]-val

Structural Information

Molecular Formula
C26H30N2O7
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)C(=O)C[C@@H]1[C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H30N2O7/c1-16(2)22(25(31)32)28-24(30)20(29)14-21-23(35-21)19(13-17-9-5-3-6-10-17)27-26(33)34-15-18-11-7-4-8-12-18/h3-12,16,19,21-23H,13-15H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)/t19-,21+,22-,23+/m0/s1
InChIKey
IKDPROZVWGKLGT-FCJDFRRUSA-N
Compound name
(2S)-3-methyl-2-[[2-oxo-3-[(2R,3R)-3-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]propanoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.2053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.21258 206.3
[M+Na]+ 505.19452 206.9
[M-H]- 481.19802 214.2
[M+NH4]+ 500.23912 205.6
[M+K]+ 521.16846 205.7
[M+H-H2O]+ 465.20256 197.4
[M+HCOO]- 527.20350 222.4
[M+CH3COO]- 541.21915 242.4
[M+Na-2H]- 503.17997 202.8
[M]+ 482.20475 211.6
[M]- 482.20585 211.6
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.