CID 6857710

N~2~-[(benzyloxy)carbonyl]-n-[(1s,2s)-2-hydroxy-1-(4-hydroxybenzyl)propyl]-l-leucinamide

Structural Information

Molecular Formula
C24H32N2O5
SMILES
C[C@@H]([C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C24H32N2O5/c1-16(2)13-22(26-24(30)31-15-19-7-5-4-6-8-19)23(29)25-21(17(3)27)14-18-9-11-20(28)12-10-18/h4-12,16-17,21-22,27-28H,13-15H2,1-3H3,(H,25,29)(H,26,30)/t17-,21-,22-/m0/s1
InChIKey
ZUWYQZGBCBSHFK-HSQYWUDLSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2311 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23838 206.7
[M+Na]+ 451.22032 205.4
[M-H]- 427.22382 208.9
[M+NH4]+ 446.26492 213.2
[M+K]+ 467.19426 203.7
[M+H-H2O]+ 411.22836 197.3
[M+HCOO]- 473.22930 222.0
[M+CH3COO]- 487.24495 230.8
[M+Na-2H]- 449.20577 201.8
[M]+ 428.23055 206.2
[M]- 428.23165 206.2
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.