CID 92232352

Carbobenzyloxy-l-tyrosyl-l-alanine

Structural Information

Molecular Formula
C20H22N2O6
SMILES
C[C@H](C(=O)O)NC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O6/c1-13(19(25)26)21-18(24)17(11-14-7-9-16(23)10-8-14)22-20(27)28-12-15-5-3-2-4-6-15/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,27)(H,25,26)/t13-,17-/m1/s1
InChIKey
LKRYTYVDKGHSPS-CXAGYDPISA-N
Compound name
(2R)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1478 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.155076 190.1
[M+Na]+ 409.137018 190.9
[M-H]- 385.140524 193.1
[M+NH4]+ 404.181623 198.2
[M+K]+ 425.110958 189.5
[M+H-H2O]+ 369.145060 181.0
[M+HCOO]- 431.146001 208.2
[M+CH3COO]- 445.161651 219.7
[M+Na-2H]- 407.122466 188.6
[M]+ 386.14725142 189.5
[M]- 386.14834858 189.5
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.