CID 5743205

Bdbm9192

Structural Information

Molecular Formula
C45H51N3O7
SMILES
C1COCCN1C(=O)COC2=CC=C(C=C2)C[C@H](C[C@@H](CN3[C@H](C[C@@H](C3=O)CC4=CC=CC=C4)CC5=CC=CC=C5)O)C(=O)N[C@@H]6[C@@H](CC7=CC=CC=C67)O
InChI
InChI=1S/C45H51N3O7/c49-38(29-48-37(25-32-11-5-2-6-12-32)26-36(45(48)53)24-31-9-3-1-4-10-31)27-35(44(52)46-43-40-14-8-7-13-34(40)28-41(43)50)23-33-15-17-39(18-16-33)55-30-42(51)47-19-21-54-22-20-47/h1-18,35-38,41,43,49-50H,19-30H2,(H,46,52)/t35-,36+,37+,38+,41-,43+/m1/s1
InChIKey
IDBLGZUZWCEMCW-MYEHJTHISA-N
Compound name
(2R,4S)-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

745.3727 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.37998 265.9
[M+Na]+ 768.36192 258.6
[M-H]- 744.36542 277.4
[M+NH4]+ 763.40652 257.9
[M+K]+ 784.33586 255.8
[M+H-H2O]+ 728.36996 253.0
[M+HCOO]- 790.37090 268.8
[M+CH3COO]- 804.38655 264.6
[M+Na-2H]- 766.34737 253.2
[M]+ 745.37215 261.0
[M]- 745.37325 261.0
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.