CID 11261141

Fmoc-phe-phe-oh

Structural Information

Molecular Formula
C33H30N2O5
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C33H30N2O5/c36-31(34-30(32(37)38)20-23-13-5-2-6-14-23)29(19-22-11-3-1-4-12-22)35-33(39)40-21-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28/h1-18,28-30H,19-21H2,(H,34,36)(H,35,39)(H,37,38)/t29-,30-/m0/s1
InChIKey
KZPTXQVSHOISSL-KYJUHHDHSA-N
Compound name
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

534.21545 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.22273 230.3
[M+Na]+ 557.20467 240.3
[M+NH4]+ 552.24927 235.2
[M+K]+ 573.17861 235.1
[M-H]- 533.20817 235.8
[M+Na-2H]- 555.19012 236.1
[M]+ 534.21490 232.9
[M]- 534.21600 232.9
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

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