CID 24800541

Delanzomib

Structural Information

Molecular Formula
C21H28BN3O5
SMILES
B([C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
InChIKey
SJFBTAPEPRWNKH-CCKFTAQKSA-N
Compound name
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

43
References

5006
Patents

413.2122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21948 197.9
[M+Na]+ 436.20142 203.2
[M+NH4]+ 431.24602 199.8
[M+K]+ 452.17536 202.5
[M-H]- 412.20492 197.3
[M+Na-2H]- 434.18687 199.7
[M]+ 413.21165 197.6
[M]- 413.21275 197.6
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

patents stripe