CID 5184707

Carbobenzyloxy-l-seryl-l-tyrosinamide

Structural Information

Molecular Formula
C20H23N3O6
SMILES
C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C20H23N3O6/c21-18(26)16(10-13-6-8-15(25)9-7-13)22-19(27)17(11-24)23-20(28)29-12-14-4-2-1-3-5-14/h1-9,16-17,24-25H,10-12H2,(H2,21,26)(H,22,27)(H,23,28)
InChIKey
IDVLTNHLGZDZIP-UHFFFAOYSA-N
Compound name
benzyl N-[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.165976 193.0
[M+Na]+ 424.147918 192.9
[M-H]- 400.151424 195.4
[M+NH4]+ 419.192523 199.9
[M+K]+ 440.121858 191.6
[M+H-H2O]+ 384.155960 183.5
[M+HCOO]- 446.156901 211.5
[M+CH3COO]- 460.172551 225.0
[M+Na-2H]- 422.133366 191.1
[M]+ 401.15815142 190.7
[M]- 401.15924858 190.7
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

No patent data available for this compound.