CID 92489520

121722-58-5

Structural Information

Molecular Formula
C25H25N5O2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CN=CN4)N
InChI
InChI=1S/C25H25N5O2/c26-22(14-21-15-27-16-28-21)24(31)30-23(12-17-6-2-1-3-7-17)25(32)29-20-11-10-18-8-4-5-9-19(18)13-20/h1-11,13,15-16,22-23H,12,14,26H2,(H,27,28)(H,29,32)(H,30,31)/t22-,23-/m0/s1
InChIKey
RXOAVNPNUYMDPP-GOTSBHOMSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-N-naphthalen-2-yl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.20084 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20812 198.1
[M+Na]+ 450.19006 199.9
[M-H]- 426.19356 204.0
[M+NH4]+ 445.23466 204.7
[M+K]+ 466.16400 194.0
[M+H-H2O]+ 410.19810 187.1
[M+HCOO]- 472.19904 217.1
[M+CH3COO]- 486.21469 204.6
[M+Na-2H]- 448.17551 200.6
[M]+ 427.20029 195.0
[M]- 427.20139 195.0
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.