CID 67381501

273221-84-4

Structural Information

Molecular Formula
C29H30N2O6
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H30N2O6/c1-29(2,3)37-28(35)30-19-10-8-9-18(15-19)16-25(26(32)33)31-27(34)36-17-24-22-13-6-4-11-20(22)21-12-5-7-14-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1
InChIKey
IAGJEXMLJVWIJU-VWLOTQADSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

502.2104 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.21768 219.9
[M+Na]+ 525.19962 227.8
[M+NH4]+ 520.24422 223.8
[M+K]+ 541.17356 225.3
[M-H]- 501.20312 221.9
[M+Na-2H]- 523.18507 222.8
[M]+ 502.20985 221.1
[M]- 502.21095 221.1
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