CID 486823

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

Structural Information

Molecular Formula
C35H40N4O6
SMILES
CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)CN(C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O
InChI
InChI=1S/C35H40N4O6/c1-35(2,3)37-32(41)30-18-11-19-38(30)31(40)21-39(44)33(42)29(20-23-12-5-4-6-13-23)36-34(43)45-22-28-26-16-9-7-14-24(26)25-15-8-10-17-27(25)28/h4-10,12-17,28-30,44H,11,18-22H2,1-3H3,(H,36,43)(H,37,41)/t29-,30+/m0/s1
InChIKey
BXSFWRLBNNSYHM-XZWHSSHBSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[(2R)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-hydroxyamino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

612.2948 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.30208 242.0
[M+Na]+ 635.28402 238.1
[M-H]- 611.28752 250.5
[M+NH4]+ 630.32862 245.5
[M+K]+ 651.25796 237.5
[M+H-H2O]+ 595.29206 233.1
[M+HCOO]- 657.29300 254.2
[M+CH3COO]- 671.30865 268.4
[M+Na-2H]- 633.26947 237.7
[M]+ 612.29425 242.6
[M]- 612.29535 242.6
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.