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 192.7
[M+Na]+ 398.20504 193.4
[M-H]- 374.20854 195.0
[M+NH4]+ 393.24964 202.8
[M+K]+ 414.17898 190.5
[M+H-H2O]+ 358.21308 183.9
[M+HCOO]- 420.21402 209.0
[M+CH3COO]- 434.22967 221.0
[M+Na-2H]- 396.19049 187.1
[M]+ 375.21527 189.8
[M]- 375.21637 189.8
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.