CID 493398

Chembl160200

Structural Information

Molecular Formula
C29H29N5O3
SMILES
C1C(CC2=CC=CC=C21)C(=O)N[C@H](CC3=CC=CC4=CC=CC=C43)C(=O)N[C@H](CC5=CN=CN5)C(=O)N
InChI
InChI=1S/C29H29N5O3/c30-27(35)25(15-23-16-31-17-32-23)33-29(37)26(14-21-10-5-9-18-6-3-4-11-24(18)21)34-28(36)22-12-19-7-1-2-8-20(19)13-22/h1-11,16-17,22,25-26H,12-15H2,(H2,30,35)(H,31,32)(H,33,37)(H,34,36)/t25-,26-/m1/s1
InChIKey
QFKAYSJWYQEVCJ-CLJLJLNGSA-N
Compound name
N-[(2R)-1-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]-2,3-dihydro-1H-indene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.22705 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.23433 211.9
[M+Na]+ 518.21627 212.1
[M-H]- 494.21977 218.9
[M+NH4]+ 513.26087 218.2
[M+K]+ 534.19021 207.1
[M+H-H2O]+ 478.22431 201.9
[M+HCOO]- 540.22525 227.9
[M+CH3COO]- 554.24090 217.2
[M+Na-2H]- 516.20172 210.3
[M]+ 495.22650 209.1
[M]- 495.22760 209.1
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.