CID 463298

162539-73-3

Structural Information

Molecular Formula
C37H58N4O8
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)OCCCN3CCOCC3)NC(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C37H58N4O8/c1-36(2,3)48-34(44)39-30(23-27-11-8-7-9-12-27)32(42)25-38-26-33(43)31(40-35(45)49-37(4,5)6)24-28-13-15-29(16-14-28)47-20-10-17-41-18-21-46-22-19-41/h7-9,11-16,30-33,38,42-43H,10,17-26H2,1-6H3,(H,39,44)(H,40,45)/t30-,31-,32+,33+/m0/s1
InChIKey
GVGIURATDJMDNM-UYEZAFAQSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[4-(3-morpholin-4-ylpropoxy)phenyl]butyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

686.4255 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 687.43278 261.4
[M+Na]+ 709.41472 251.6
[M-H]- 685.41822 263.4
[M+NH4]+ 704.45932 253.6
[M+K]+ 725.38866 254.1
[M+H-H2O]+ 669.42276 249.8
[M+HCOO]- 731.42370 265.8
[M+CH3COO]- 745.43935 279.1
[M+Na-2H]- 707.40017 257.5
[M]+ 686.42495 262.0
[M]- 686.42605 262.0
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.