CID 480318

(3s)-tetrahydro-3-furanyl n-((1s,2r)-1-benzyl-3-(5-cyano-2,2-dimethylpentyl)[(4-methoxyphenyl) sulfonyl] amino-2-hydroxypropyl) carbamate

Structural Information

Molecular Formula
C30H41N3O7S
SMILES
CC(C)(CCCC#N)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C30H41N3O7S/c1-30(2,16-7-8-17-31)22-33(41(36,37)26-13-11-24(38-3)12-14-26)20-28(34)27(19-23-9-5-4-6-10-23)32-29(35)40-25-15-18-39-21-25/h4-6,9-14,25,27-28,34H,7-8,15-16,18-22H2,1-3H3,(H,32,35)/t25-,27-,28+/m0/s1
InChIKey
GTZRJNIJBHGQCB-RZDMPUFOSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(5-cyano-2,2-dimethylpentyl)-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

587.26654 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.27382 249.9
[M+Na]+ 610.25576 249.8
[M-H]- 586.25926 255.6
[M+NH4]+ 605.30036 251.2
[M+K]+ 626.22970 248.1
[M+H-H2O]+ 570.26380 234.1
[M+HCOO]- 632.26474 256.2
[M+CH3COO]- 646.28039 261.1
[M+Na-2H]- 608.24121 246.5
[M]+ 587.26599 249.3
[M]- 587.26709 249.3
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.