CID 16077050

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

Structural Information

Molecular Formula
C30H38N4O8S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)C5=COC(=N5)N
InChI
InChI=1S/C30H38N4O8S/c1-19(2)15-34(43(37,38)22-10-8-21(9-11-22)25-17-41-29(31)32-25)16-26(35)24(14-20-6-4-3-5-7-20)33-30(36)42-27-18-40-28-23(27)12-13-39-28/h3-11,17,19,23-24,26-28,35H,12-16,18H2,1-2H3,(H2,31,32)(H,33,36)/t23-,24-,26+,27-,28+/m0/s1
InChIKey
XSBOHVHXZIQPGK-YJKNTMTJSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[4-(2-amino-1,3-oxazol-4-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.241 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.24828 238.5
[M+Na]+ 637.23022 236.3
[M-H]- 613.23372 251.9
[M+NH4]+ 632.27482 239.6
[M+K]+ 653.20416 240.4
[M+H-H2O]+ 597.23826 233.8
[M+HCOO]- 659.23920 247.6
[M+CH3COO]- 673.25485 263.9
[M+Na-2H]- 635.21567 234.4
[M]+ 614.24045 244.0
[M]- 614.24155 244.0
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.