CID 4091799

N-cbz-leu-leu-glu beta-naphthylamide

Structural Information

Molecular Formula
C35H44N4O7
SMILES
CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C35H44N4O7/c1-22(2)18-29(38-34(44)30(19-23(3)4)39-35(45)46-21-24-10-6-5-7-11-24)33(43)37-28(16-17-31(40)41)32(42)36-27-15-14-25-12-8-9-13-26(25)20-27/h5-15,20,22-23,28-30H,16-19,21H2,1-4H3,(H,36,42)(H,37,43)(H,38,44)(H,39,45)(H,40,41)
InChIKey
MIYHULQEZFNUGE-UHFFFAOYSA-N
Compound name
4-[[4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-5-(naphthalen-2-ylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

632.321 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.32828 247.0
[M+Na]+ 655.31022 248.1
[M+NH4]+ 650.35482 246.0
[M+K]+ 671.28416 247.5
[M-H]- 631.31372 247.0
[M+Na-2H]- 653.29567 246.6
[M]+ 632.32045 245.9
[M]- 632.32155 245.9
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.