CID 90658771

(e)-1-(l-cysteinylglycin-s-yl)-n-hydroxy-omega-(methylsulfanyl)pentan-1-imine

Structural Information

Molecular Formula
C11H21N3O4S2
SMILES
CSCCCC/C(=N\O)/SC[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C11H21N3O4S2/c1-19-5-3-2-4-9(14-18)20-7-8(12)11(17)13-6-10(15)16/h8,18H,2-7,12H2,1H3,(H,13,17)(H,15,16)/b14-9+/t8-/m0/s1
InChIKey
FPKWDSJLQYQAEF-UEFOHQGUSA-N
Compound name
2-[[(2R)-2-amino-3-[(E)-N-hydroxy-C-(4-methylsulfanylbutyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

323.09735 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10463 172.4
[M+Na]+ 346.08657 172.7
[M-H]- 322.09007 168.4
[M+NH4]+ 341.13117 184.0
[M+K]+ 362.06051 168.7
[M+H-H2O]+ 306.09461 164.2
[M+HCOO]- 368.09555 180.6
[M+CH3COO]- 382.11120 209.3
[M+Na-2H]- 344.07202 168.2
[M]+ 323.09680 173.1
[M]- 323.09790 173.1
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.