CID 2761510

N-alpha-fmoc-n-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzo[b]furan-5-ylsulfonyl)-l-beta-homoarginine

Structural Information

Molecular Formula
C35H42N4O7S
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)32(22(3)28-18-35(4,5)46-31(20)28)47(43,44)39-33(36)37-16-10-11-23(17-30(40)41)38-34(42)45-19-29-26-14-8-6-12-24(26)25-13-7-9-15-27(25)29/h6-9,12-15,23,29H,10-11,16-19H2,1-5H3,(H,38,42)(H,40,41)(H3,36,37,39)/t23-/m0/s1
InChIKey
SPUZTADXOCHTJW-QHCPKHFHSA-N
Compound name
(3S)-6-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

662.2774 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.28468 256.3
[M+Na]+ 685.26662 257.1
[M-H]- 661.27012 263.9
[M+NH4]+ 680.31122 262.0
[M+K]+ 701.24056 256.6
[M+H-H2O]+ 645.27466 250.7
[M+HCOO]- 707.27560 265.9
[M+CH3COO]- 721.29125 282.1
[M+Na-2H]- 683.25207 256.0
[M]+ 662.27685 264.9
[M]- 662.27795 264.9
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