CID 44118847

951695-85-5

Structural Information

Molecular Formula
C27H34N2O6
SMILES
CC(C)(C)OC(=O)N(C)CCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H34N2O6/c1-27(2,3)35-26(33)29(4)16-10-9-15-23(24(30)31)28-25(32)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,32)(H,30,31)/t23-/m0/s1
InChIKey
JHMSFOFHTAYQLS-QHCPKHFHSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

482.2417 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.24898 215.2
[M+Na]+ 505.23092 220.3
[M+NH4]+ 500.27552 218.4
[M+K]+ 521.20486 219.2
[M-H]- 481.23442 214.4
[M+Na-2H]- 503.21637 215.0
[M]+ 482.24115 215.1
[M]- 482.24225 215.1
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