CID 482027

[1s-[1r*,2s*(2s*,3r*)]]-[3-[[3-1,1-dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-(2-methoxyphenyl)butyl]-amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid, 1,1-dimethyethyl ester

Structural Information

Molecular Formula
C31H47N3O7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2OC)NC(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C31H47N3O7/c1-30(2,3)40-28(37)33-23(17-21-13-9-8-10-14-21)25(35)19-32-20-26(36)24(34-29(38)41-31(4,5)6)18-22-15-11-12-16-27(22)39-7/h8-16,23-26,32,35-36H,17-20H2,1-7H3,(H,33,37)(H,34,38)/t23-,24-,25+,26+/m0/s1
InChIKey
BWJSNGQOKRCKGU-QEGGNFSNSA-N
Compound name
tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.34143 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.34871 239.2
[M+Na]+ 596.33065 234.3
[M-H]- 572.33415 240.6
[M+NH4]+ 591.37525 239.7
[M+K]+ 612.30459 235.5
[M+H-H2O]+ 556.33869 229.7
[M+HCOO]- 618.33963 250.6
[M+CH3COO]- 632.35528 259.5
[M+Na-2H]- 594.31610 235.5
[M]+ 573.34088 242.0
[M]- 573.34198 242.0
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.