CID 471902

Fmoc-cha-gser-fmoc

Structural Information

Molecular Formula
C41H43N3O6
SMILES
C1CCC(CC1)C[C@@H](C(=O)NC(CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C41H43N3O6/c45-23-38(44-41(48)50-25-36-33-20-10-6-16-29(33)30-17-7-11-21-34(30)36)43-39(46)37(22-26-12-2-1-3-13-26)42-40(47)49-24-35-31-18-8-4-14-27(31)28-15-5-9-19-32(28)35/h4-11,14-21,26,35-38,45H,1-3,12-13,22-25H2,(H,42,47)(H,43,46)(H,44,48)/t37-,38?/m0/s1
InChIKey
OYFPFEZRRFILHZ-AIQPRDSRSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-3-cyclohexyl-1-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

673.3152 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.32248 243.9
[M+Na]+ 696.30442 238.1
[M-H]- 672.30792 252.1
[M+NH4]+ 691.34902 246.5
[M+K]+ 712.27836 235.4
[M+H-H2O]+ 656.31246 234.2
[M+HCOO]- 718.31340 253.3
[M+CH3COO]- 732.32905 245.1
[M+Na-2H]- 694.28987 240.1
[M]+ 673.31465 242.0
[M]- 673.31575 242.0
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.