CID 467142

Fmoc-phe-gser-phe-fmoc

Structural Information

Molecular Formula
C50H46N4O7
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC(CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI
InChI=1S/C50H46N4O7/c55-29-46(53-47(56)44(27-32-15-3-1-4-16-32)51-49(58)60-30-42-38-23-11-7-19-34(38)35-20-8-12-24-39(35)42)54-48(57)45(28-33-17-5-2-6-18-33)52-50(59)61-31-43-40-25-13-9-21-36(40)37-22-10-14-26-41(37)43/h1-26,42-46,55H,27-31H2,(H,51,58)(H,52,59)(H,53,56)(H,54,57)/t44-,45-/m0/s1
InChIKey
BGZBNGWYESKWEU-GSVOJQHPSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-2-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

814.3367 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.34398 262.1
[M+Na]+ 837.32592 253.4
[M-H]- 813.32942 272.9
[M+NH4]+ 832.37052 257.6
[M+K]+ 853.29986 253.7
[M+H-H2O]+ 797.33396 251.1
[M+HCOO]- 859.33490 272.4
[M+CH3COO]- 873.35055 261.2
[M+Na-2H]- 835.31137 294.1
[M]+ 814.33615 317.5
[M]- 814.33725 317.5
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.