CID 2761531

203854-47-1

Structural Information

Molecular Formula
C27H34N2O6
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H34N2O6/c1-27(2,3)35-25(32)28-15-9-8-10-18(16-24(30)31)29-26(33)34-17-23-21-13-6-4-11-19(21)20-12-5-7-14-22(20)23/h4-7,11-14,18,23H,8-10,15-17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t18-/m0/s1
InChIKey
SDBUQLGECIYUDT-SFHVURJKSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

482.2417 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.24898 216.5
[M+Na]+ 505.23092 221.5
[M+NH4]+ 500.27552 219.5
[M+K]+ 521.20486 219.8
[M-H]- 481.23442 215.4
[M+Na-2H]- 503.21637 215.9
[M]+ 482.24115 216.2
[M]- 482.24225 216.2
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