CID 333329

Carbobenzyloxy-l-seryl-l-tyrosine

Structural Information

Molecular Formula
C20H22N2O7
SMILES
C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C20H22N2O7/c23-11-17(22-20(28)29-12-14-4-2-1-3-5-14)18(25)21-16(19(26)27)10-13-6-8-15(24)9-7-13/h1-9,16-17,23-24H,10-12H2,(H,21,25)(H,22,28)(H,26,27)
InChIKey
GXKYITDLDSANPE-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

402.1427 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.149976 191.8
[M+Na]+ 425.131918 192.0
[M-H]- 401.135424 193.4
[M+NH4]+ 420.176523 198.4
[M+K]+ 441.105858 190.6
[M+H-H2O]+ 385.139960 182.7
[M+HCOO]- 447.140901 208.6
[M+CH3COO]- 461.156551 220.0
[M+Na-2H]- 423.117366 190.1
[M]+ 402.14215142 190.8
[M]- 402.14324858 190.8
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

patents stripe