CID 467146

Fmoc-phe-ghse-phe-fmoc

Structural Information

Molecular Formula
C51H48N4O7
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC(CCO)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/C51H48N4O7/c56-28-27-47(54-48(57)45(29-33-15-3-1-4-16-33)52-50(59)61-31-43-39-23-11-7-19-35(39)36-20-8-12-24-40(36)43)55-49(58)46(30-34-17-5-2-6-18-34)53-51(60)62-32-44-41-25-13-9-21-37(41)38-22-10-14-26-42(38)44/h1-26,43-47,56H,27-32H2,(H,52,59)(H,53,60)(H,54,57)(H,55,58)/t45-,46-/m0/s1
InChIKey
DBDRAZDFWGDKQB-ZYBCLOSLSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

828.3523 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.35958 265.6
[M+Na]+ 851.34152 256.4
[M-H]- 827.34502 276.1
[M+NH4]+ 846.38612 260.5
[M+K]+ 867.31546 256.6
[M+H-H2O]+ 811.34956 254.4
[M+HCOO]- 873.35050 275.5
[M+CH3COO]- 887.36615 264.2
[M+Na-2H]- 849.32697 296.8
[M]+ 828.35175 320.1
[M]- 828.35285 320.1
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.