CID 7020035

H-glu-his-bna

Structural Information

Molecular Formula
C21H23N5O4
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)O)N
InChI
InChI=1S/C21H23N5O4/c22-17(7-8-19(27)28)20(29)26-18(10-16-11-23-12-24-16)21(30)25-15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,11-12,17-18H,7-8,10,22H2,(H,23,24)(H,25,30)(H,26,29)(H,27,28)/t17-,18-/m0/s1
InChIKey
YLDILTQDSGGAFE-ROUUACIJSA-N
Compound name
(4S)-4-amino-5-[[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.17502 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18230 194.5
[M+Na]+ 432.16424 200.7
[M+NH4]+ 427.20884 197.0
[M+K]+ 448.13818 200.2
[M-H]- 408.16774 195.0
[M+Na-2H]- 430.14969 197.5
[M]+ 409.17447 194.6
[M]- 409.17557 194.6
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

No patent data available for this compound.