CID 129907605

Fmoc-phe-pro-hyp-lys

Structural Information

Molecular Formula
C40H47N5O8
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)N6CC(CC6C(=O)N[C@@H](CCCCN)C(=O)O)O
InChI
InChI=1S/C40H47N5O8/c41-19-9-8-17-32(39(50)51)42-36(47)35-22-26(46)23-45(35)38(49)34-18-10-20-44(34)37(48)33(21-25-11-2-1-3-12-25)43-40(52)53-24-31-29-15-6-4-13-27(29)28-14-5-7-16-30(28)31/h1-7,11-16,26,31-35,46H,8-10,17-24,41H2,(H,42,47)(H,43,52)(H,50,51)/t26?,32-,33-,34-,35?/m0/s1
InChIKey
DXNQAPJFQUULKS-HXLYRDRESA-N
Compound name
(2S)-6-amino-2-[[1-[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

725.34247 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.34975 256.3
[M+Na]+ 748.33169 261.3
[M-H]- 724.33519 257.9
[M+NH4]+ 743.37629 259.7
[M+K]+ 764.30563 262.9
[M+H-H2O]+ 708.33973 234.6
[M+HCOO]- 770.34067 260.6
[M+CH3COO]- 784.35632 284.9
[M+Na-2H]- 746.31714 269.2
[M]+ 725.34192 285.7
[M]- 725.34302 285.7
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.