CID 455979

L-phe-opr oxalamide deriv.

Structural Information

Molecular Formula
C26H32N2O6
SMILES
CCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCCC
InChI
InChI=1S/C26H32N2O6/c1-3-15-33-25(31)21(17-19-11-7-5-8-12-19)27-23(29)24(30)28-22(26(32)34-16-4-2)18-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m0/s1
InChIKey
MPOLESVNAIGGJJ-VXKWHMMOSA-N
Compound name
propyl (2S)-2-[[2-oxo-2-[[(2S)-1-oxo-3-phenyl-1-propoxypropan-2-yl]amino]acetyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.22604 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.23332 216.6
[M+Na]+ 491.21526 214.9
[M-H]- 467.21876 220.9
[M+NH4]+ 486.25986 222.4
[M+K]+ 507.18920 213.7
[M+H-H2O]+ 451.22330 206.0
[M+HCOO]- 513.22424 234.8
[M+CH3COO]- 527.23989 238.9
[M+Na-2H]- 489.20071 212.5
[M]+ 468.22549 219.8
[M]- 468.22659 219.8
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.