CID 122129466

Fmoc-n-me-arg(pbf)-oh

Structural Information

Molecular Formula
C35H42N4O7S
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)38-33(36)37-17-11-16-29(32(40)41)39(6)34(42)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,40,41)(H3,36,37,38)/t29-/m0/s1
InChIKey
MEGKXARLCPKZHJ-LJAQVGFWSA-N
Compound name
(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

662.2774 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.28468 253.0
[M+Na]+ 685.26662 256.8
[M+NH4]+ 680.31122 256.3
[M+K]+ 701.24056 254.5
[M-H]- 661.27012 256.1
[M+Na-2H]- 683.25207 253.9
[M]+ 662.27685 254.4
[M]- 662.27795 254.4
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

patents stripe