CID 471900

Fmoc-cha-gser-cha-fmoc

Structural Information

Molecular Formula
C50H58N4O7
SMILES
C1CCC(CC1)C[C@@H](C(=O)NC(CO)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68
InChI
InChI=1S/C50H58N4O7/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/h7-14,19-26,32-33,42-46,55H,1-6,15-18,27-31H2,(H,51,58)(H,52,59)(H,53,56)(H,54,57)/t44-,45-/m0/s1
InChIKey
SCJRDXFZITZTQP-GSVOJQHPSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-3-cyclohexyl-1-[[1-[[(2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

826.43054 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 827.43782 282.5
[M+Na]+ 849.41976 287.9
[M-H]- 825.42326 286.0
[M+NH4]+ 844.46436 287.0
[M+K]+ 865.39370 289.4
[M+H-H2O]+ 809.42780 248.3
[M+HCOO]- 871.42874 287.4
[M+CH3COO]- 885.44439 289.9
[M+Na-2H]- 847.40521 304.3
[M]+ 826.42999 319.0
[M]- 826.43109 319.0
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.