CID 489381

(2s)-1-[(4r)-4-benzyl-2-hydroxy-5-[[(1s,2s)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]amino]-5-oxo-pentyl]-n-tert-butyl-piperidine-2-carboxamide

Structural Information

Molecular Formula
C34H51N5O4
SMILES
CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@H](CC2=CC=CC=C2)CC(CN3CCCC[C@H]3C(=O)NC(C)(C)C)O
InChI
InChI=1S/C34H51N5O4/c1-6-24(2)30(33(43)36-22-27-16-10-12-18-35-27)37-31(41)26(20-25-14-8-7-9-15-25)21-28(40)23-39-19-13-11-17-29(39)32(42)38-34(3,4)5/h7-10,12,14-16,18,24,26,28-30,40H,6,11,13,17,19-23H2,1-5H3,(H,36,43)(H,37,41)(H,38,42)/t24-,26+,28?,29-,30-/m0/s1
InChIKey
VIXULTRKHNJGCZ-ANINVVAHSA-N
Compound name
(2S)-1-[(4R)-4-benzyl-2-hydroxy-5-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-5-oxopentyl]-N-tert-butylpiperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.3941 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.40138 243.5
[M+Na]+ 616.38332 236.0
[M-H]- 592.38682 245.5
[M+NH4]+ 611.42792 240.2
[M+K]+ 632.35726 233.8
[M+H-H2O]+ 576.39136 231.7
[M+HCOO]- 638.39230 250.1
[M+CH3COO]- 652.40795 267.2
[M+Na-2H]- 614.36877 237.0
[M]+ 593.39355 238.8
[M]- 593.39465 238.8
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.