CID 5481420

Fmoc-ala-phe-pro-val-val-ome

Structural Information

Molecular Formula
C43H53N5O8
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C43H53N5O8/c1-25(2)36(40(51)47-37(26(3)4)42(53)55-6)46-39(50)35-21-14-22-48(35)41(52)34(23-28-15-8-7-9-16-28)45-38(49)27(5)44-43(54)56-24-33-31-19-12-10-17-29(31)30-18-11-13-20-32(30)33/h7-13,15-20,25-27,33-37H,14,21-24H2,1-6H3,(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t27-,34-,35-,36-,37-/m0/s1
InChIKey
HQQFMOXIVKQFCP-WMENYLNASA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-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

767.3894 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 768.39668 267.9
[M+Na]+ 790.37862 272.0
[M-H]- 766.38212 274.2
[M+NH4]+ 785.42322 272.7
[M+K]+ 806.35256 268.7
[M+H-H2O]+ 750.38666 245.8
[M+HCOO]- 812.38760 273.3
[M+CH3COO]- 826.40325 301.6
[M+Na-2H]- 788.36407 292.0
[M]+ 767.38885 311.0
[M]- 767.38995 311.0
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.