CID 481871

[1s-[1r*,2s*(2s*,3r*)]]-[3-[[3-(5,5-dimethyl-2-oxo-3-oxazolidinyl)-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)-propyl] carbamic acid, 1,1-dimethylethyl lester

Structural Information

Molecular Formula
C30H44N4O6
SMILES
CC1(CN(C(=O)O1)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O)C
InChI
InChI=1S/C30H44N4O6/c1-29(2,3)39-27(37)32-23(16-21-12-8-6-9-13-21)25(35)18-31-19-26(36)24(17-22-14-10-7-11-15-22)33-34-20-30(4,5)40-28(34)38/h6-15,23-26,31,33,35-36H,16-20H2,1-5H3,(H,32,37)/t23-,24-,25+,26+/m0/s1
InChIKey
HHZPLANEHOUOSK-QEGGNFSNSA-N
Compound name
tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.3261 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.33338 234.5
[M+Na]+ 579.31532 230.8
[M-H]- 555.31882 239.0
[M+NH4]+ 574.35992 236.5
[M+K]+ 595.28926 231.0
[M+H-H2O]+ 539.32336 225.4
[M+HCOO]- 601.32430 245.5
[M+CH3COO]- 615.33995 255.8
[M+Na-2H]- 577.30077 231.3
[M]+ 556.32555 234.5
[M]- 556.32665 234.5
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.