CID 56777079

197632-75-0

Structural Information

Molecular Formula
C32H32N2O6
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C32H32N2O6/c1-32(2,3)40-31(38)34-18-20(21-11-9-10-16-27(21)34)17-28(29(35)36)33(4)30(37)39-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h5-16,18,26,28H,17,19H2,1-4H3,(H,35,36)/t28-/m0/s1
InChIKey
YMZUDCKQUKFBIR-NDEPHWFRSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 227.4
[M+Na]+ 563.21522 236.9
[M+NH4]+ 558.25982 231.7
[M+K]+ 579.18916 236.3
[M-H]- 539.21872 229.4
[M+Na-2H]- 561.20067 230.0
[M]+ 540.22545 229.0
[M]- 540.22655 229.0
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