CID 9543193

Q27139477

Structural Information

Molecular Formula
C10H16N3O6SSe
SMILES
C(CC(=O)N[C@@H](CS[Se-])C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6,21H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1
InChIKey
UUYVRXVWXDDDGX-WDSKDSINSA-M
Compound name
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-selenidosulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

385.9925 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.99978 183.1
[M+Na]+ 408.98172 182.0
[M-H]- 384.98522 176.2
[M+NH4]+ 404.02632 201.4
[M+K]+ 424.95566 180.5
[M+H-H2O]+ 368.98976 177.1
[M+HCOO]- 430.99070 194.6
[M+CH3COO]- 445.00635 207.4
[M+Na-2H]- 406.96717 175.6
[M]+ 385.99195 179.5
[M]- 385.99305 179.5
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.