CID 480347

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

Structural Information

Molecular Formula
C30H42N2O8S
SMILES
CC(=O)CCC(C)(C)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/C30H42N2O8S/c1-22(33)14-16-30(2,3)21-32(41(36,37)26-12-10-24(38-4)11-13-26)19-28(34)27(18-23-8-6-5-7-9-23)31-29(35)40-25-15-17-39-20-25/h5-13,25,27-28,34H,14-21H2,1-4H3,(H,31,35)/t25-,27-,28+/m0/s1
InChIKey
STBIDWVFFLISHZ-RZDMPUFOSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(2,2-dimethyl-5-oxohexyl)-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.2662 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.27348 239.3
[M+Na]+ 613.25542 235.4
[M-H]- 589.25892 246.8
[M+NH4]+ 608.30002 240.7
[M+K]+ 629.22936 236.6
[M+H-H2O]+ 573.26346 230.5
[M+HCOO]- 635.26440 247.9
[M+CH3COO]- 649.28005 258.2
[M+Na-2H]- 611.24087 236.9
[M]+ 590.26565 245.3
[M]- 590.26675 245.3
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.