CID 5482934

Chembl2182010

Structural Information

Molecular Formula
C38H42N2O6Si
SMILES
C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)C[Si](C[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)(O)O)O
InChI
InChI=1S/C38H42N2O6Si/c41-33-21-27-15-7-9-17-31(27)35(33)39-37(43)29(19-25-11-3-1-4-12-25)23-47(45,46)24-30(20-26-13-5-2-6-14-26)38(44)40-36-32-18-10-8-16-28(32)22-34(36)42/h1-18,29-30,33-36,41-42,45-46H,19-24H2,(H,39,43)(H,40,44)/t29-,30-,33-,34-,35+,36+/m1/s1
InChIKey
FHAJFFRLMGECJB-SLJXGACLSA-N
Compound name
(2S)-2-benzyl-3-[[(2S)-2-benzyl-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-dihydroxysilyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

650.2812 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.28848 242.9
[M+Na]+ 673.27042 238.1
[M-H]- 649.27392 250.1
[M+NH4]+ 668.31502 244.0
[M+K]+ 689.24436 234.4
[M+H-H2O]+ 633.27846 234.5
[M+HCOO]- 695.27940 250.6
[M+CH3COO]- 709.29505 263.9
[M+Na-2H]- 671.25587 238.0
[M]+ 650.28065 238.7
[M]- 650.28175 238.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.