CID 90476451

L-cys-bis-gly

Structural Information

Molecular Formula
C10H18N4O6S2
SMILES
C([C@@H](C(=O)NCC(=O)O)N)SSC[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C10H18N4O6S2/c11-5(9(19)13-1-7(15)16)3-21-22-4-6(12)10(20)14-2-8(17)18/h5-6H,1-4,11-12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)/t5-,6-/m0/s1
InChIKey
KDJVKDYFFTWHBO-WDSKDSINSA-N
Compound name
2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

354.06677 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07405 174.3
[M+Na]+ 377.05599 171.6
[M+NH4]+ 372.10059 174.8
[M+K]+ 393.02993 171.1
[M-H]- 353.05949 168.7
[M+Na-2H]- 375.04144 169.6
[M]+ 354.06622 171.8
[M]- 354.06732 171.8
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