CID 5276445

(-)-carbamic acid, [(1s,2r)-3-[[[(3z)-2,3-dihydro-2-oxo-3-(phenylmethylene)-1h-indol-5-yl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester

Structural Information

Molecular Formula
C36H41N3O8S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC\5=C(C=C4)NC(=O)/C5=C\C6=CC=CC=C6
InChI
InChI=1S/C36H41N3O8S/c1-23(2)20-39(48(43,44)26-13-14-30-28(19-26)29(34(41)37-30)17-24-9-5-3-6-10-24)21-32(40)31(18-25-11-7-4-8-12-25)38-36(42)47-33-22-46-35-27(33)15-16-45-35/h3-14,17,19,23,27,31-33,35,40H,15-16,18,20-22H2,1-2H3,(H,37,41)(H,38,42)/b29-17-/t27?,31-,32+,33?,35?/m0/s1
InChIKey
ZJOKKQLCLLDHHM-WGQOTGFYSA-N
Compound name
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[(2S,3R)-4-[[(3Z)-3-benzylidene-2-oxo-1H-indol-5-yl]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

675.2614 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.26868 250.4
[M+Na]+ 698.25062 247.1
[M-H]- 674.25412 262.2
[M+NH4]+ 693.29522 250.8
[M+K]+ 714.22456 248.5
[M+H-H2O]+ 658.25866 246.2
[M+HCOO]- 720.25960 255.1
[M+CH3COO]- 734.27525 271.2
[M+Na-2H]- 696.23607 244.6
[M]+ 675.26085 253.8
[M]- 675.26195 253.8
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.