CID 465754

C-pr-meoco(meso2-val)phe epoxy deriv.

Structural Information

Molecular Formula
C34H47N3O7S
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)OCC4CC4
InChI
InChI=1S/C34H47N3O7S/c1-22(2)26(18-23-12-8-6-9-13-23)35-29(38)20-28-30(44-28)27(19-24-14-10-7-11-15-24)36-32(39)31(34(3,4)45(5,41)42)37-33(40)43-21-25-16-17-25/h6-15,22,25-28,30-31H,16-21H2,1-5H3,(H,35,38)(H,36,39)(H,37,40)/t26?,27-,28-,30+,31+/m0/s1
InChIKey
KSPMVZNIQNUQCP-WLDKXOMDSA-N
Compound name
cyclopropylmethyl 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]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

641.3135 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.32078 219.1
[M+Na]+ 664.30272 215.1
[M-H]- 640.30622 227.7
[M+NH4]+ 659.34732 209.3
[M+K]+ 680.27666 214.5
[M+H-H2O]+ 624.31076 213.2
[M+HCOO]- 686.31170 226.8
[M+CH3COO]- 700.32735 269.6
[M+Na-2H]- 662.28817 217.1
[M]+ 641.31295 228.0
[M]- 641.31405 228.0
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.