CID 465764

Meoac(meso2-val)phe epoxy deriv.

Structural Information

Molecular Formula
C32H45N3O7S
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)COC
InChI
InChI=1S/C32H45N3O7S/c1-21(2)24(17-22-13-9-7-10-14-22)33-27(36)19-26-29(42-26)25(18-23-15-11-8-12-16-23)34-31(38)30(35-28(37)20-41-5)32(3,4)43(6,39)40/h7-16,21,24-26,29-30H,17-20H2,1-6H3,(H,33,36)(H,34,38)(H,35,37)/t24?,25-,26-,29+,30+/m0/s1
InChIKey
XIVUPFSWHQBUHT-ZLDSWALFSA-N
Compound name
(2R)-2-[(2-methoxyacetyl)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

615.29785 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.30513 231.2
[M+Na]+ 638.28707 228.2
[M-H]- 614.29057 238.6
[M+NH4]+ 633.33167 226.0
[M+K]+ 654.26101 227.3
[M+H-H2O]+ 598.29511 222.7
[M+HCOO]- 660.29605 240.0
[M+CH3COO]- 674.31170 268.6
[M+Na-2H]- 636.27252 229.4
[M]+ 615.29730 239.7
[M]- 615.29840 239.7
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.