CID 3013193

(4r)-3-[(2s,3s)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-n-[(2-methoxyphenyl)methyl]-5,5-dimethyl-thiazolidine-4-carboxamide

Structural Information

Molecular Formula
C34H41N3O6S
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC4=CC=CC=C4OC)(C)C)O
InChI
InChI=1S/C34H41N3O6S/c1-22-12-11-13-23(2)30(22)43-20-28(38)36-26(18-24-14-7-6-8-15-24)29(39)33(41)37-21-44-34(3,4)31(37)32(40)35-19-25-16-9-10-17-27(25)42-5/h6-17,26,29,31,39H,18-21H2,1-5H3,(H,35,40)(H,36,38)/t26-,29-,31+/m0/s1
InChIKey
CFCXZSWDNGMRGJ-VTRIWSNPSA-N
Compound name
(4R)-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2-methoxyphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

619.2716 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 620.27888 247.6
[M+Na]+ 642.26082 246.4
[M-H]- 618.26432 255.9
[M+NH4]+ 637.30542 249.6
[M+K]+ 658.23476 243.6
[M+H-H2O]+ 602.26886 237.7
[M+HCOO]- 664.26980 256.5
[M+CH3COO]- 678.28545 265.4
[M+Na-2H]- 640.24627 240.3
[M]+ 619.27105 251.5
[M]- 619.27215 251.5
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.