CID 474433

Fmoc-phe(f)p-pro-ome

Structural Information

Molecular Formula
C40H47FN4O7
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C40H47FN4O7/c1-23(2)34(37(47)44-35(24(3)4)39(49)51-5)43-36(46)33-15-10-20-45(33)38(48)32(21-25-16-18-26(41)19-17-25)42-40(50)52-22-31-29-13-8-6-11-27(29)28-12-7-9-14-30(28)31/h6-9,11-14,16-19,23-24,31-35H,10,15,20-22H2,1-5H3,(H,42,50)(H,43,46)(H,44,47)/t32-,33-,34-,35-/m0/s1
InChIKey
SIRDAEDWTMRTLB-BBACVFHCSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

714.3429 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.35018 265.7
[M+Na]+ 737.33212 258.7
[M-H]- 713.33562 272.1
[M+NH4]+ 732.37672 264.5
[M+K]+ 753.30606 259.9
[M+H-H2O]+ 697.34016 256.3
[M+HCOO]- 759.34110 273.1
[M+CH3COO]- 773.35675 289.9
[M+Na-2H]- 735.31757 253.3
[M]+ 714.34235 266.4
[M]- 714.34345 266.4
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.