CID 486826

Fmoc-phe-psi[co n(oh)]-gly-phe-nh tbu

Structural Information

Molecular Formula
C39H42N4O6
SMILES
CC(C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN(C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O
InChI
InChI=1S/C39H42N4O6/c1-39(2,3)42-36(45)33(22-26-14-6-4-7-15-26)40-35(44)24-43(48)37(46)34(23-27-16-8-5-9-17-27)41-38(47)49-25-32-30-20-12-10-18-28(30)29-19-11-13-21-31(29)32/h4-21,32-34,48H,22-25H2,1-3H3,(H,40,44)(H,41,47)(H,42,45)/t33-,34-/m0/s1
InChIKey
UBQCKJLTTLGXKQ-HEVIKAOCSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-hydroxyamino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

662.3104 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.31768 253.1
[M+Na]+ 685.29962 247.4
[M-H]- 661.30312 261.4
[M+NH4]+ 680.34422 253.0
[M+K]+ 701.27356 247.4
[M+H-H2O]+ 645.30766 242.3
[M+HCOO]- 707.30860 266.8
[M+CH3COO]- 721.32425 280.9
[M+Na-2H]- 683.28507 251.5
[M]+ 662.30985 254.3
[M]- 662.31095 254.3
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.