CID 510524

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

Structural Information

Molecular Formula
C19H30N4O6
SMILES
CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(N=CN1)C(=O)N[C@@H](CC(C)C)C(=O)OC
InChI
InChI=1S/C19H30N4O6/c1-10(2)7-12(18(26)28-5)22-16(24)14-15(21-9-20-14)17(25)23-13(8-11(3)4)19(27)29-6/h9-13H,7-8H2,1-6H3,(H,20,21)(H,22,24)(H,23,25)/t12-,13-/m0/s1
InChIKey
LSXSKFQRKCUHRB-STQMWFEESA-N
Compound name
methyl (2S)-2-[[4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

410.21652 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22380 199.1
[M+Na]+ 433.20574 199.4
[M-H]- 409.20924 198.2
[M+NH4]+ 428.25034 206.8
[M+K]+ 449.17968 200.4
[M+H-H2O]+ 393.21378 190.6
[M+HCOO]- 455.21472 213.4
[M+CH3COO]- 469.23037 229.2
[M+Na-2H]- 431.19119 191.4
[M]+ 410.21597 201.8
[M]- 410.21707 201.8
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.