CID 6610292

Lactacystin

Structural Information

Molecular Formula
C15H24N2O7S
SMILES
C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SC[C@@H](C(=O)O)NC(=O)C)O
InChI
InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1
InChIKey
DAQAKHDKYAWHCG-RWTHQLGUSA-N
Compound name
(2R)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1595
References

8492
Patents

376.13043 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13771 185.3
[M+Na]+ 399.11965 185.4
[M+NH4]+ 394.16425 186.9
[M+K]+ 415.09359 186.2
[M-H]- 375.12315 178.5
[M+Na-2H]- 397.10510 181.3
[M]+ 376.12988 182.8
[M]- 376.13098 182.8
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