CID 3075751

L-tyrosinamide, 1-(1-oxohexyl)-l-prolyl-

Structural Information

Molecular Formula
C20H29N3O4
SMILES
CCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C20H29N3O4/c1-2-3-4-7-18(25)23-12-5-6-17(23)20(27)22-16(19(21)26)13-14-8-10-15(24)11-9-14/h8-11,16-17,24H,2-7,12-13H2,1H3,(H2,21,26)(H,22,27)/t16-,17-/m0/s1
InChIKey
ZURZNROGUUVCMD-IRXDYDNUSA-N
Compound name
(2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.21582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.22310 192.4
[M+Na]+ 398.20504 196.9
[M+NH4]+ 393.24964 195.4
[M+K]+ 414.17898 195.9
[M-H]- 374.20854 192.2
[M+Na-2H]- 396.19049 192.8
[M]+ 375.21527 192.1
[M]- 375.21637 192.1
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.