CID 489993

Cbz-leu-leu-ala-h

Structural Information

Molecular Formula
C23H35N3O5
SMILES
C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C23H35N3O5/c1-15(2)11-19(21(28)24-17(5)13-27)25-22(29)20(12-16(3)4)26-23(30)31-14-18-9-7-6-8-10-18/h6-10,13,15-17,19-20H,11-12,14H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)/t17-,19-,20-/m0/s1
InChIKey
IGLIFRZQNUZPJL-IHPCNDPISA-N
Compound name
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

433.25766 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26494 211.2
[M+Na]+ 456.24688 208.9
[M-H]- 432.25038 212.6
[M+NH4]+ 451.29148 218.7
[M+K]+ 472.22082 209.3
[M+H-H2O]+ 416.25492 202.1
[M+HCOO]- 478.25586 228.0
[M+CH3COO]- 492.27151 239.9
[M+Na-2H]- 454.23233 203.8
[M]+ 433.25711 212.8
[M]- 433.25821 212.8
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.