CID 482018

[(3s)-tetrahydrofuran-3-yl] n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[(2r,3s)-2-hydroxy-4-phenyl-3-(tetrahydrofuran-3-yloxycarbonylamino)butyl]amino]propyl]carbamate

Structural Information

Molecular Formula
C30H41N3O8
SMILES
C1COC[C@H]1OC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC[C@H]([C@H](CC3=CC=CC=C3)NC(=O)OC4CCOC4)O)O
InChI
InChI=1S/C30H41N3O8/c34-27(25(15-21-7-3-1-4-8-21)32-29(36)40-23-11-13-38-19-23)17-31-18-28(35)26(16-22-9-5-2-6-10-22)33-30(37)41-24-12-14-39-20-24/h1-10,23-28,31,34-35H,11-20H2,(H,32,36)(H,33,37)/t23-,24?,25-,26-,27+,28+/m0/s1
InChIKey
SEXFJRCJAKSTKW-GOCSVNLBSA-N
Compound name
oxolan-3-yl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[[(3S)-oxolan-3-yl]oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.28937 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.29665 230.7
[M+Na]+ 594.27859 222.0
[M-H]- 570.28209 239.0
[M+NH4]+ 589.32319 230.2
[M+K]+ 610.25253 224.5
[M+H-H2O]+ 554.28663 221.3
[M+HCOO]- 616.28757 242.1
[M+CH3COO]- 630.30322 252.6
[M+Na-2H]- 592.26404 224.3
[M]+ 571.28882 227.6
[M]- 571.28992 227.6
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.