CID 194532

Pglu-his-pro-2na

Structural Information

Molecular Formula
C26H28N6O4
SMILES
C1C[C@H](N(C1)C2=CC3=CC=CC=C3C=C2)C(=O)NC(=O)[C@H](CC4C=NC=N4)NC(=O)[C@@H]5CCC(=O)N5
InChI
InChI=1S/C26H28N6O4/c33-23-10-9-20(29-23)24(34)30-21(13-18-14-27-15-28-18)25(35)31-26(36)22-6-3-11-32(22)19-8-7-16-4-1-2-5-17(16)12-19/h1-2,4-5,7-8,12,14-15,18,20-22H,3,6,9-11,13H2,(H,29,33)(H,30,34)(H,31,35,36)/t18?,20-,21-,22-/m0/s1
InChIKey
VHPCPKIDRHHIHE-WDHNVLQZSA-N
Compound name
(2S)-N-[(2S)-3-(4H-imidazol-4-yl)-1-[[(2S)-1-naphthalen-2-ylpyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.2172 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22448 210.5
[M+Na]+ 511.20642 215.9
[M+NH4]+ 506.25102 213.1
[M+K]+ 527.18036 219.0
[M-H]- 487.20992 213.0
[M+Na-2H]- 509.19187 213.8
[M]+ 488.21665 211.0
[M]- 488.21775 211.0
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.