CID 465755

C-prncon(meso2-val)phe epoxy deriv.

Structural Information

Molecular Formula
C34H48N4O6S
SMILES
CC(C)C(CC1=CC=CC=C1)NC(=O)C[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)N(C)C4CC4
InChI
InChI=1S/C34H48N4O6S/c1-22(2)26(19-23-13-9-7-10-14-23)35-29(39)21-28-30(44-28)27(20-24-15-11-8-12-16-24)36-32(40)31(34(3,4)45(6,42)43)37-33(41)38(5)25-17-18-25/h7-16,22,25-28,30-31H,17-21H2,1-6H3,(H,35,39)(H,36,40)(H,37,41)/t26?,27-,28-,30+,31+/m0/s1
InChIKey
KKPJWNZRBIQUNL-WLDKXOMDSA-N
Compound name
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-N-[(1S)-1-[(2R,3S)-3-[2-[(3-methyl-1-phenylbutan-2-yl)amino]-2-oxoethyl]oxiran-2-yl]-2-phenylethyl]-3-methylsulfonylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.32947 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.33675 217.8
[M+Na]+ 663.31869 213.5
[M-H]- 639.32219 227.5
[M+NH4]+ 658.36329 208.5
[M+K]+ 679.29263 213.5
[M+H-H2O]+ 623.32673 212.0
[M+HCOO]- 685.32767 226.7
[M+CH3COO]- 699.34332 274.4
[M+Na-2H]- 661.30414 215.9
[M]+ 640.32892 226.0
[M]- 640.33002 226.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.