CID 16077062

[(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-[4-(2-isobutyloxazol-4-yl)phenyl]sulfonyl-amino]propyl]carbamate

Structural Information

Molecular Formula
C34H45N3O8S
SMILES
CC(C)CC1=NC(=CO1)C2=CC=C(C=C2)S(=O)(=O)N(C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)CC(C)C
InChI
InChI=1S/C34H45N3O8S/c1-22(2)16-32-35-29(20-43-32)25-10-12-26(13-11-25)46(40,41)37(18-23(3)4)19-30(38)28(17-24-8-6-5-7-9-24)36-34(39)45-31-21-44-33-27(31)14-15-42-33/h5-13,20,22-23,27-28,30-31,33,38H,14-19,21H2,1-4H3,(H,36,39)/t27-,28-,30+,31-,33+/m0/s1
InChIKey
SOVFCWUYWYAAHW-CGDBSKDLSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-[2-(2-methylpropyl)-1,3-oxazol-4-yl]phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

655.2927 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.29998 253.2
[M+Na]+ 678.28192 249.9
[M-H]- 654.28542 266.5
[M+NH4]+ 673.32652 253.1
[M+K]+ 694.25586 254.1
[M+H-H2O]+ 638.28996 248.7
[M+HCOO]- 700.29090 259.6
[M+CH3COO]- 714.30655 270.4
[M+Na-2H]- 676.26737 246.0
[M]+ 655.29215 260.8
[M]- 655.29325 260.8
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.