CID 510526

Methyl (2s)-2-[(5-{n-[(1s)-1-(methoxycarbonyl)-2-phenylethyl]carbamoyl}imidazol-4-yl)carbonylamino]-3-phenylpropanoate

Structural Information

Molecular Formula
C25H26N4O6
SMILES
COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C25H26N4O6/c1-34-24(32)18(13-16-9-5-3-6-10-16)28-22(30)20-21(27-15-26-20)23(31)29-19(25(33)35-2)14-17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,26,27)(H,28,30)(H,29,31)/t18-,19-/m0/s1
InChIKey
FYIDASHAZBANMO-OALUTQOASA-N
Compound name
methyl (2S)-2-[[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

478.18524 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19252 211.0
[M+Na]+ 501.17446 210.5
[M-H]- 477.17796 216.2
[M+NH4]+ 496.21906 214.5
[M+K]+ 517.14840 208.7
[M+H-H2O]+ 461.18250 199.8
[M+HCOO]- 523.18344 227.6
[M+CH3COO]- 537.19909 237.1
[M+Na-2H]- 499.15991 207.8
[M]+ 478.18469 211.8
[M]- 478.18579 211.8
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.