CID 463287

162540-90-1

Structural Information

Molecular Formula
C35H52N4O9
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=C(C=C2)OCCN3CCOC3=O)NC(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C35H52N4O9/c1-34(2,3)47-31(42)37-27(20-24-10-8-7-9-11-24)29(40)22-36-23-30(41)28(38-32(43)48-35(4,5)6)21-25-12-14-26(15-13-25)45-18-16-39-17-19-46-33(39)44/h7-15,27-30,36,40-41H,16-23H2,1-6H3,(H,37,42)(H,38,43)/t27-,28-,29+,30+/m0/s1
InChIKey
SGPZLDNIZDMEIK-VZNYXHRGSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

672.3734 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.38068 256.4
[M+Na]+ 695.36262 248.7
[M-H]- 671.36612 260.2
[M+NH4]+ 690.40722 251.3
[M+K]+ 711.33656 251.9
[M+H-H2O]+ 655.37066 246.5
[M+HCOO]- 717.37160 264.0
[M+CH3COO]- 731.38725 275.7
[M+Na-2H]- 693.34807 252.1
[M]+ 672.37285 259.6
[M]- 672.37395 259.6
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.