CID 122542123

Schembl18078717

Structural Information

Molecular Formula
C19H26N6O6
SMILES
COC1=CC=CC=C1C2=NN=C(O2)[C@H](CC(=O)N)NC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C19H26N6O6/c1-30-14-8-3-2-6-11(14)16-24-25-17(31-16)13(10-15(21)26)23-19(29)22-12(18(27)28)7-4-5-9-20/h2-3,6,8,12-13H,4-5,7,9-10,20H2,1H3,(H2,21,26)(H,27,28)(H2,22,23,29)/t12-,13-/m0/s1
InChIKey
SAUWXUYDAXFMAR-STQMWFEESA-N
Compound name
(2S)-6-amino-2-[[(1S)-3-amino-1-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-oxopropyl]carbamoylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

434.19138 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.19866 201.8
[M+Na]+ 457.18060 204.2
[M+NH4]+ 452.22520 201.5
[M+K]+ 473.15454 206.9
[M-H]- 433.18410 201.7
[M+Na-2H]- 455.16605 201.1
[M]+ 434.19083 200.9
[M]- 434.19193 200.9
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

patents stripe