CID 7020033

H-glu-glu-bna

Structural Information

Molecular Formula
C20H23N3O6
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C20H23N3O6/c21-15(7-9-17(24)25)19(28)23-16(8-10-18(26)27)20(29)22-14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,15-16H,7-10,21H2,(H,22,29)(H,23,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
InChIKey
FISYZJITBVGXRR-HOTGVXAUSA-N
Compound name
(4S)-4-amino-5-[[(2S)-4-carboxy-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1587 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16598 192.1
[M+Na]+ 424.14792 195.8
[M+NH4]+ 419.19252 193.8
[M+K]+ 440.12186 195.0
[M-H]- 400.15142 190.3
[M+Na-2H]- 422.13337 191.6
[M]+ 401.15815 191.1
[M]- 401.15925 191.1
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

No patent data available for this compound.