CID 117607904

Zetomipzomib

Structural Information

Molecular Formula
C30H42N4O8
SMILES
C[C@@H](C(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)OC)O)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4
InChI
InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
InChIKey
GHYOCDFICYLMRF-UTIIJYGPSA-N
Compound name
(2S,3R)-N-[(2S)-3-(cyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

92120
Patents

586.3003 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.307576 225.1
[M+Na]+ 609.289518 220.7
[M-H]- 585.293024 233.9
[M+NH4]+ 604.334123 220.3
[M+K]+ 625.263458 223.1
[M+H-H2O]+ 569.297560 218.3
[M+HCOO]- 631.298501 233.9
[M+CH3COO]- 645.314151 261.9
[M+Na-2H]- 607.274966 219.7
[M]+ 586.29975142 226.9
[M]- 586.30084858 226.9
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