CID 7019934

17479-62-8

Structural Information

Molecular Formula
C24H24N2O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CCCC(=O)O
InChI
InChI=1S/C24H24N2O4/c27-22(11-6-12-23(28)29)26-21(15-17-7-2-1-3-8-17)24(30)25-20-14-13-18-9-4-5-10-19(18)16-20/h1-5,7-10,13-14,16,21H,6,11-12,15H2,(H,25,30)(H,26,27)(H,28,29)/t21-/m0/s1
InChIKey
UNBPEIBIPPJZIR-NRFANRHFSA-N
Compound name
5-[[(2S)-1-(naphthalen-2-ylamino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

404.1736 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 197.9
[M+Na]+ 427.16282 207.6
[M+NH4]+ 422.20742 203.0
[M+K]+ 443.13676 201.5
[M-H]- 403.16632 201.2
[M+Na-2H]- 425.14827 203.5
[M]+ 404.17305 199.8
[M]- 404.17415 199.8
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

patents stripe