CID 75534973

1315449-98-9

Structural Information

Molecular Formula
C32H32N2O6
SMILES
C[C@](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C32H32N2O6/c1-31(2,3)40-30(38)34-18-20(21-11-9-10-16-27(21)34)17-32(4,28(35)36)33-29(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26H,17,19H2,1-4H3,(H,33,37)(H,35,36)/t32-/m0/s1
InChIKey
MXKJLYRFMUOEPT-YTTGMZPUSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.226 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.23328 228.3
[M+Na]+ 563.21522 237.6
[M+NH4]+ 558.25982 232.3
[M+K]+ 579.18916 236.9
[M-H]- 539.21872 229.6
[M+Na-2H]- 561.20067 231.0
[M]+ 540.22545 229.8
[M]- 540.22655 229.8
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.