CID 454215

Cbz-phe-ala-1ph2nh3,4epox6mehep

Structural Information

Molecular Formula
C34H41N3O5
SMILES
CC(C)CC1[C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C34H41N3O5/c1-23(2)19-30-31(42-30)28(20-25-13-7-4-8-14-25)36-32(38)24(3)35-33(39)29(21-26-15-9-5-10-16-26)37-34(40)41-22-27-17-11-6-12-18-27/h4-18,23-24,28-31H,19-22H2,1-3H3,(H,35,39)(H,36,38)(H,37,40)/t24?,28-,29?,30?,31+/m0/s1
InChIKey
UPAWPVPXWIXIIF-AMBOTIALSA-N
Compound name
benzyl N-[1-[[1-[[(1S)-1-[(2R)-3-(2-methylpropyl)oxiran-2-yl]-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.3046 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.31188 229.0
[M+Na]+ 594.29382 226.6
[M-H]- 570.29732 239.7
[M+NH4]+ 589.33842 224.7
[M+K]+ 610.26776 224.9
[M+H-H2O]+ 554.30186 218.4
[M+HCOO]- 616.30280 245.7
[M+CH3COO]- 630.31845 263.1
[M+Na-2H]- 592.27927 225.2
[M]+ 571.30405 232.9
[M]- 571.30515 232.9
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.