CID 126961189

Gassh

Structural Information

Molecular Formula
C10H18N4O5S2
SMILES
C(CC(=O)N[C@@H](CSS)C(=O)NCC(=O)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C10H18N4O5S2/c11-5(10(18)19)1-2-8(16)14-6(4-21-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
BGNRTMCCDBRFLL-WDSKDSINSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-3-(disulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

338.07187 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07915 172.7
[M+Na]+ 361.06109 171.0
[M+NH4]+ 356.10569 174.1
[M+K]+ 377.03503 169.5
[M-H]- 337.06459 168.1
[M+Na-2H]- 359.04654 168.8
[M]+ 338.07132 170.8
[M]- 338.07242 170.8
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

No patent data available for this compound.