CID 474430

Fmoc-phe-pro-val-val-ome

Structural Information

Molecular Formula
C40H48N4O7
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=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C40H48N4O7/c1-24(2)34(37(46)43-35(25(3)4)39(48)50-5)42-36(45)33-20-13-21-44(33)38(47)32(22-26-14-7-6-8-15-26)41-40(49)51-23-31-29-18-11-9-16-27(29)28-17-10-12-19-30(28)31/h6-12,14-19,24-25,31-35H,13,20-23H2,1-5H3,(H,41,49)(H,42,45)(H,43,46)/t32-,33-,34-,35-/m0/s1
InChIKey
RYVOQSQMUIXQOC-BBACVFHCSA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-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

696.3523 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.35958 262.2
[M+Na]+ 719.34152 254.2
[M-H]- 695.34502 269.5
[M+NH4]+ 714.38612 261.4
[M+K]+ 735.31546 255.8
[M+H-H2O]+ 679.34956 253.4
[M+HCOO]- 741.35050 270.6
[M+CH3COO]- 755.36615 286.2
[M+Na-2H]- 717.32697 250.9
[M]+ 696.35175 263.3
[M]- 696.35285 263.3
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.