CID 481335

((4r)-3-{2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propanoyl}(1,3-thiazolidin-4-yl))-n-(tert-butyl)carboxamide

Structural Information

Molecular Formula
C21H33N3O5S2
SMILES
CC(C)CN(CC(C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H33N3O5S2/c1-15(2)11-23(31(28,29)16-9-7-6-8-10-16)12-18(25)20(27)24-14-30-13-17(24)19(26)22-21(3,4)5/h6-10,15,17-18,25H,11-14H2,1-5H3,(H,22,26)/t17-,18?/m0/s1
InChIKey
KXHJVPZCVHTVAK-ZENAZSQFSA-N
Compound name
(4R)-3-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.18616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.19344 210.2
[M+Na]+ 494.17538 209.8
[M-H]- 470.17888 213.2
[M+NH4]+ 489.21998 217.8
[M+K]+ 510.14932 207.5
[M+H-H2O]+ 454.18342 203.1
[M+HCOO]- 516.18436 213.8
[M+CH3COO]- 530.20001 234.9
[M+Na-2H]- 492.16083 207.1
[M]+ 471.18561 212.5
[M]- 471.18671 212.5
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.