CID 49767965

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

Structural Information

Molecular Formula
C21H26N2O6S
SMILES
COC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C21H26N2O6S/c1-28-21(27)18(12-24)23-20(26)17(9-10-30-2)22-19(25)13-29-16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,17-18,24H,9-10,12-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1
InChIKey
RBTSEDFZINFDMH-ROUUACIJSA-N
Compound name
methyl (2S)-3-hydroxy-2-[[(2S)-4-methylsulfanyl-2-[(2-naphthalen-2-yloxyacetyl)amino]butanoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.15115 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15843 201.1
[M+Na]+ 457.14037 201.4
[M-H]- 433.14387 202.1
[M+NH4]+ 452.18497 209.7
[M+K]+ 473.11431 199.3
[M+H-H2O]+ 417.14841 192.6
[M+HCOO]- 479.14935 213.2
[M+CH3COO]- 493.16500 229.8
[M+Na-2H]- 455.12582 199.6
[M]+ 434.15060 206.4
[M]- 434.15170 206.4
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.