CID 6478202

Chembl318039

Structural Information

Molecular Formula
C33H41N5O8
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)/C=C/C(=O)N2CCOC2=O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C33H41N5O8/c1-22(2)19-26(37-32(43)46-21-24-11-7-4-8-12-24)31(42)36-27(20-23-9-5-3-6-10-23)30(41)35-25(13-15-28(34)39)14-16-29(40)38-17-18-45-33(38)44/h3-12,14,16,22,25-27H,13,15,17-21H2,1-2H3,(H2,34,39)(H,35,41)(H,36,42)(H,37,43)/b16-14+/t25-,26-,27-/m0/s1
InChIKey
SLGBMPYBSIHSNC-CFAYQFHGSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-[[(E,4S)-7-amino-1,7-dioxo-1-(2-oxo-1,3-oxazolidin-3-yl)hept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

635.29553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.30281 252.3
[M+Na]+ 658.28475 244.8
[M-H]- 634.28825 258.0
[M+NH4]+ 653.32935 248.5
[M+K]+ 674.25869 246.5
[M+H-H2O]+ 618.29279 240.9
[M+HCOO]- 680.29373 264.6
[M+CH3COO]- 694.30938 275.2
[M+Na-2H]- 656.27020 242.6
[M]+ 635.29498 251.4
[M]- 635.29608 251.4
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

No patent data available for this compound.