CID 465760

Furan-nhco(meso2-val)phe epoxy deriv.

Structural Information

Molecular Formula
C34H43N3O7S
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)C4=CC=CO4
InChI
InChI=1S/C34H43N3O7S/c1-22(2)25(19-23-13-8-6-9-14-23)35-29(38)21-28-30(44-28)26(20-24-15-10-7-11-16-24)36-33(40)31(34(3,4)45(5,41)42)37-32(39)27-17-12-18-43-27/h6-18,22,25-26,28,30-31H,19-21H2,1-5H3,(H,35,38)(H,36,40)(H,37,39)/t25?,26-,28-,30+,31+/m0/s1
InChIKey
QZPACCYZNPUAHG-PGCWLFSHSA-N
Compound name
N-[(2R)-3-methyl-1-[[(1S)-1-[(2R,3S)-3-[2-[(3-methyl-1-phenylbutan-2-yl)amino]-2-oxoethyl]oxiran-2-yl]-2-phenylethyl]amino]-3-methylsulfonyl-1-oxobutan-2-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.28217 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.28945 233.9
[M+Na]+ 660.27139 231.3
[M-H]- 636.27489 245.6
[M+NH4]+ 655.31599 228.1
[M+K]+ 676.24533 231.8
[M+H-H2O]+ 620.27943 226.7
[M+HCOO]- 682.28037 243.3
[M+CH3COO]- 696.29602 270.5
[M+Na-2H]- 658.25684 232.6
[M]+ 637.28162 242.1
[M]- 637.28272 242.1
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.