CID 477569

Chembl359440

Structural Information

Molecular Formula
C18H28N2O8S
SMILES
CC(C)(C)OC(=O)[C@H](CCC(=O)N1[C@@H](CSC1=O)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H28N2O8S/c1-17(2,3)27-14(24)10(19-15(25)28-18(4,5)6)7-8-12(21)20-11(13(22)23)9-29-16(20)26/h10-11H,7-9H2,1-6H3,(H,19,25)(H,22,23)/t10-,11-/m0/s1
InChIKey
OPUYSJWFSVYOFA-QWRGUYRKSA-N
Compound name
(4R)-3-[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]-2-oxo-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.15665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16393 198.0
[M+Na]+ 455.14587 199.2
[M-H]- 431.14937 197.8
[M+NH4]+ 450.19047 207.2
[M+K]+ 471.11981 199.9
[M+H-H2O]+ 415.15391 192.7
[M+HCOO]- 477.15485 205.1
[M+CH3COO]- 491.17050 224.0
[M+Na-2H]- 453.13132 193.6
[M]+ 432.15610 203.4
[M]- 432.15720 203.4
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

No patent data available for this compound.