CID 2756075

917099-01-5

Structural Information

Molecular Formula
C28H26N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCC(=O)O)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H26N2O4/c31-27(32)14-13-19(15-18-16-29-26-12-6-5-7-20(18)26)30-28(33)34-17-25-23-10-3-1-8-21(23)22-9-2-4-11-24(22)25/h1-12,16,19,25,29H,13-15,17H2,(H,30,33)(H,31,32)/t19-/m1/s1
InChIKey
UOWIRRUTUJSIFI-LJQANCHMSA-N
Compound name
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(1H-indol-3-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

454.18927 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.19655 210.9
[M+Na]+ 477.17849 222.1
[M+NH4]+ 472.22309 217.1
[M+K]+ 493.15243 218.4
[M-H]- 453.18199 214.1
[M+Na-2H]- 475.16394 214.5
[M]+ 454.18872 213.1
[M]- 454.18982 213.1
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