CID 481938

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

Structural Information

Molecular Formula
C31H44N4O7
SMILES
CC1(C(NC(=O)O1)C(=O)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/C31H44N4O7/c1-30(2,3)41-28(39)34-23(17-21-14-10-7-11-15-21)25(37)19-32-18-24(36)22(16-20-12-8-6-9-13-20)33-27(38)26-31(4,5)42-29(40)35-26/h6-15,22-26,32,36-37H,16-19H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)/t22-,23-,24+,25+,26?/m0/s1
InChIKey
PGXRGLDDMOXGFJ-FKWJXEDXSA-N
Compound name
tert-butyl N-[(2S,3R)-4-[[(2R,3S)-3-[(5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carbonyl)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

584.321 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.32828 239.2
[M+Na]+ 607.31022 234.3
[M-H]- 583.31372 242.3
[M+NH4]+ 602.35482 239.1
[M+K]+ 623.28416 235.0
[M+H-H2O]+ 567.31826 230.6
[M+HCOO]- 629.31920 247.8
[M+CH3COO]- 643.33485 258.8
[M+Na-2H]- 605.29567 234.7
[M]+ 584.32045 237.8
[M]- 584.32155 237.8
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.