CID 13386706

Carbobenzyloxy-l-phenylalanyl-l-leucinamide

Structural Information

Molecular Formula
C23H29N3O4
SMILES
CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H29N3O4/c1-16(2)13-19(21(24)27)25-22(28)20(14-17-9-5-3-6-10-17)26-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H2,24,27)(H,25,28)(H,26,29)/t19-,20-/m0/s1
InChIKey
RPHKPDYJGQVFLN-PMACEKPBSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

411.21582 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 201.4
[M+Na]+ 434.20504 207.2
[M+NH4]+ 429.24964 204.7
[M+K]+ 450.17898 203.7
[M-H]- 410.20854 203.5
[M+Na-2H]- 432.19049 205.0
[M]+ 411.21527 202.1
[M]- 411.21637 202.1
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