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

literature stripe

Patent stripe

patents stripe