CID 49767963

L-methionine, n-[(2-naphthalenyloxy)acetyl]-l-methionyl-, methyl ester

Structural Information

Molecular Formula
C23H30N2O5S2
SMILES
COC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C23H30N2O5S2/c1-29-23(28)20(11-13-32-3)25-22(27)19(10-12-31-2)24-21(26)15-30-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14,19-20H,10-13,15H2,1-3H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1
InChIKey
BQSCMUZRTZLBIR-PMACEKPBSA-N
Compound name
methyl (2S)-4-methylsulfanyl-2-[[(2S)-4-methylsulfanyl-2-[(2-naphthalen-2-yloxyacetyl)amino]butanoyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1596 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.16688 211.4
[M+Na]+ 501.14882 210.8
[M-H]- 477.15232 212.3
[M+NH4]+ 496.19342 218.9
[M+K]+ 517.12276 206.7
[M+H-H2O]+ 461.15686 202.5
[M+HCOO]- 523.15780 218.2
[M+CH3COO]- 537.17345 239.0
[M+Na-2H]- 499.13427 209.0
[M]+ 478.15905 218.3
[M]- 478.16015 218.3
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.