CID 25067547

Oprozomib

Structural Information

Molecular Formula
C25H32N4O7S
SMILES
CC1=NC=C(S1)C(=O)N[C@@H](COC)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[C@]3(CO3)C
InChI
InChI=1S/C25H32N4O7S/c1-15-26-11-20(37-15)24(33)29-19(13-35-4)23(32)28-18(12-34-3)22(31)27-17(21(30)25(2)14-36-25)10-16-8-6-5-7-9-16/h5-9,11,17-19H,10,12-14H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)/t17-,18-,19-,25+/m0/s1
InChIKey
SWZXEVABPLUDIO-WSZYKNRRSA-N
Compound name
N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

5025
Patents

532.19916 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.20644 219.7
[M+Na]+ 555.18838 224.1
[M+NH4]+ 550.23298 222.9
[M+K]+ 571.16232 223.2
[M-H]- 531.19188 228.3
[M+Na-2H]- 553.17383 225.1
[M]+ 532.19861 223.7
[M]- 532.19971 223.7
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

patents stripe