CID 468402

(2s)-2-benzamido-n-[(1s,2r)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]butanediamide

Structural Information

Molecular Formula
C32H38N4O5
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C32H38N4O5/c1-32(2,3)36-30(40)24-17-11-10-16-23(24)19-27(37)25(18-21-12-6-4-7-13-21)34-31(41)26(20-28(33)38)35-29(39)22-14-8-5-9-15-22/h4-17,25-27,37H,18-20H2,1-3H3,(H2,33,38)(H,34,41)(H,35,39)(H,36,40)/t25-,26-,27+/m0/s1
InChIKey
BUERHFOCWCNOEA-GMQQYTKMSA-N
Compound name
(2S)-2-benzamido-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.28424 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.29152 234.4
[M+Na]+ 581.27346 229.8
[M-H]- 557.27696 239.8
[M+NH4]+ 576.31806 234.5
[M+K]+ 597.24740 228.5
[M+H-H2O]+ 541.28150 223.5
[M+HCOO]- 603.28244 249.0
[M+CH3COO]- 617.29809 261.9
[M+Na-2H]- 579.25891 230.0
[M]+ 558.28369 231.0
[M]- 558.28479 231.0
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.