CID 476618

Fmoc-[d-phe(f)-pro]-val-val-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](C(C2=CC=CC=C2)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C40H47FN4O7/c1-23(2)33(37(47)43-34(24(3)4)39(49)51-5)42-36(46)31-20-13-21-45(31)38(48)35(32(41)25-14-7-6-8-15-25)44-40(50)52-22-30-28-18-11-9-16-26(28)27-17-10-12-19-29(27)30/h6-12,14-19,23-24,30-35H,13,20-22H2,1-5H3,(H,42,46)(H,43,47)(H,44,50)/t31-,32?,33-,34-,35+/m0/s1
InChIKey
ISSOFBPIACOUHS-AZDJJOQLSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoro-3-phenylpropanoyl]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

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.35018 263.9
[M+Na]+ 737.33212 255.8
[M-H]- 713.33562 269.9
[M+NH4]+ 732.37672 262.3
[M+K]+ 753.30606 257.7
[M+H-H2O]+ 697.34016 254.7
[M+HCOO]- 759.34110 270.4
[M+CH3COO]- 773.35675 289.3
[M+Na-2H]- 735.31757 251.3
[M]+ 714.34235 263.7
[M]- 714.34345 263.7
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.