CID 6993299

L-cystine bis(t-butyl ester) dihydrochloride

Structural Information

Molecular Formula
C14H28N2O4S2
SMILES
CC(C)(C)OC(=O)[C@H](CSSC[C@@H](C(=O)OC(C)(C)C)N)N
InChI
InChI=1S/C14H28N2O4S2/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6/h9-10H,7-8,15-16H2,1-6H3/t9-,10-/m0/s1
InChIKey
KVVSTQBOEJNEKY-UWVGGRQHSA-N
Compound name
tert-butyl (2R)-2-amino-3-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]disulfanyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

139
Patents

352.14905 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15633 183.8
[M+Na]+ 375.13827 184.6
[M-H]- 351.14177 180.8
[M+NH4]+ 370.18287 195.6
[M+K]+ 391.11221 182.3
[M+H-H2O]+ 335.14631 176.8
[M+HCOO]- 397.14725 188.2
[M+CH3COO]- 411.16290 215.4
[M+Na-2H]- 373.12372 179.4
[M]+ 352.14850 187.0
[M]- 352.14960 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe