CID 493408

Chembl347937

Structural Information

Molecular Formula
C33H29N5O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@H](C(=O)N[C@H](CC3=CN=CN3)C(=O)N)NC(=O)C4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C33H29N5O3/c34-31(39)28(17-22-18-35-19-36-22)37-32(40)29(16-21-10-7-9-20-8-1-2-11-23(20)21)38-33(41)30-26-14-5-3-12-24(26)25-13-4-6-15-27(25)30/h1-15,18-19,28-30H,16-17H2,(H2,34,39)(H,35,36)(H,37,40)(H,38,41)/t28-,29-/m1/s1
InChIKey
GYUUSNAHFIDITG-FQLXRVMXSA-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]-9H-fluorene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

543.22705 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.23433 220.9
[M+Na]+ 566.21627 221.8
[M-H]- 542.21977 228.9
[M+NH4]+ 561.26087 226.0
[M+K]+ 582.19021 216.1
[M+H-H2O]+ 526.22431 210.7
[M+HCOO]- 588.22525 236.1
[M+CH3COO]- 602.24090 225.7
[M+Na-2H]- 564.20172 220.6
[M]+ 543.22650 219.8
[M]- 543.22760 219.8
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

No patent data available for this compound.