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]+ 376.223096 192.7
[M+Na]+ 398.205038 193.4
[M-H]- 374.208544 195.0
[M+NH4]+ 393.249643 202.8
[M+K]+ 414.178978 190.5
[M+H-H2O]+ 358.213080 183.9
[M+HCOO]- 420.214021 209.0
[M+CH3COO]- 434.229671 221.0
[M+Na-2H]- 396.190486 187.1
[M]+ 375.21527142 189.8
[M]- 375.21636858 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.