CID 216195

L-tyrosine, 3-hydroxy-n-(3-hydroxy-l-tyrosyl)-

Structural Information

Molecular Formula
C18H20N2O7
SMILES
C1=CC(=C(C=C1C[C@@H](C(=O)N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O)N)O)O
InChI
InChI=1S/C18H20N2O7/c19-11(5-9-1-3-13(21)15(23)7-9)17(25)20-12(18(26)27)6-10-2-4-14(22)16(24)8-10/h1-4,7-8,11-12,21-24H,5-6,19H2,(H,20,25)(H,26,27)/t11-,12-/m0/s1
InChIKey
ZDAAOODSUGKTKK-RYUDHWBXSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-3-(3,4-dihydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

376.12704 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13432 186.9
[M+Na]+ 399.11626 193.0
[M+NH4]+ 394.16086 188.6
[M+K]+ 415.09020 192.7
[M-H]- 375.11976 185.8
[M+Na-2H]- 397.10171 187.6
[M]+ 376.12649 186.6
[M]- 376.12759 186.6
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

patents stripe