CID 488049

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

Structural Information

Molecular Formula
C34H42N4O5
SMILES
CC(=O)N[C@H](CC(=O)NCC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CC3=CC=CC=C3C(=O)NC(C)(C)C)O
InChI
InChI=1S/C34H42N4O5/c1-23(39)36-29(21-31(41)35-22-25-15-9-6-10-16-25)33(43)37-28(19-24-13-7-5-8-14-24)30(40)20-26-17-11-12-18-27(26)32(42)38-34(2,3)4/h5-18,28-30,40H,19-22H2,1-4H3,(H,35,41)(H,36,39)(H,37,43)(H,38,42)/t28-,29+,30+/m0/s1
InChIKey
WDEWZLBQLFUXPH-FRXPANAUSA-N
Compound name
(2R)-2-acetamido-N'-benzyl-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

586.3155 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.32278 242.6
[M+Na]+ 609.30472 237.1
[M-H]- 585.30822 248.1
[M+NH4]+ 604.34932 241.9
[M+K]+ 625.27866 235.8
[M+H-H2O]+ 569.31276 231.3
[M+HCOO]- 631.31370 257.1
[M+CH3COO]- 645.32935 267.1
[M+Na-2H]- 607.29017 238.3
[M]+ 586.31495 240.7
[M]- 586.31605 240.7
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.