CID 3008157

D-tyrosine, n-[(phenylmethoxy)carbonyl]-l-phenylalanyl-

Structural Information

Molecular Formula
C26H26N2O6
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H26N2O6/c29-21-13-11-19(12-14-21)16-23(25(31)32)27-24(30)22(15-18-7-3-1-4-8-18)28-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,29H,15-17H2,(H,27,30)(H,28,33)(H,31,32)/t22-,23+/m0/s1
InChIKey
PGOQBJBMASKTEL-XZOQPEGZSA-N
Compound name
(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

462.17908 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.18636 209.2
[M+Na]+ 485.16830 208.2
[M-H]- 461.17180 214.6
[M+NH4]+ 480.21290 213.4
[M+K]+ 501.14224 205.5
[M+H-H2O]+ 445.17634 198.4
[M+HCOO]- 507.17728 226.3
[M+CH3COO]- 521.19293 233.6
[M+Na-2H]- 483.15375 207.6
[M]+ 462.17853 207.9
[M]- 462.17963 207.9
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.