CID 15954481

3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-n-(1-methyl-1-phenyl-ethyl)thiazolidine-4-carboxamide

Structural Information

Molecular Formula
C33H39N3O5S
SMILES
CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC(C3C(=O)NC(C)(C)C4=CC=CC=C4)(C)C)O
InChI
InChI=1S/C33H39N3O5S/c1-21-24(17-12-18-26(21)37)29(39)34-25(19-22-13-8-6-9-14-22)27(38)31(41)36-20-42-33(4,5)28(36)30(40)35-32(2,3)23-15-10-7-11-16-23/h6-18,25,27-28,37-38H,19-20H2,1-5H3,(H,34,39)(H,35,40)/t25-,27-,28?/m0/s1
InChIKey
SFKYUXZLCGCXDM-CBYROYASSA-N
Compound name
3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-N-(2-phenylpropan-2-yl)-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

589.26105 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.26833 238.9
[M+Na]+ 612.25027 237.6
[M-H]- 588.25377 246.0
[M+NH4]+ 607.29487 241.5
[M+K]+ 628.22421 234.2
[M+H-H2O]+ 572.25831 230.3
[M+HCOO]- 634.25925 245.1
[M+CH3COO]- 648.27490 257.7
[M+Na-2H]- 610.23572 233.7
[M]+ 589.26050 238.7
[M]- 589.26160 238.7
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.