CID 3008148

D-leucine, n-[(phenylmethoxy)carbonyl]-l-phenylalanyl-

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CC(C)C[C@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H28N2O5/c1-16(2)13-20(22(27)28)24-21(26)19(14-17-9-5-3-6-10-17)25-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t19-,20+/m0/s1
InChIKey
IBOXOGVHBFUSFH-VQTJNVASSA-N
Compound name
(2R)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.19983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20711 201.4
[M+Na]+ 435.18905 200.4
[M-H]- 411.19255 204.9
[M+NH4]+ 430.23365 208.9
[M+K]+ 451.16299 198.8
[M+H-H2O]+ 395.19709 191.8
[M+HCOO]- 457.19803 218.8
[M+CH3COO]- 471.21368 228.0
[M+Na-2H]- 433.17450 198.2
[M]+ 412.19928 201.3
[M]- 412.20038 201.3
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.