CID 481255

(4r)-4-[(tert-butoxy)carbonylamino]-n-(cyclopentylmethyl)-n-[(4-methoxyphenyl)sulfonyl]-2,3-dioxo-5-phenylpentanamide

Structural Information

Molecular Formula
C29H36N2O8S
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)C(=O)C(=O)N(CC2CCCC2)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C29H36N2O8S/c1-29(2,3)39-28(35)30-24(18-20-10-6-5-7-11-20)25(32)26(33)27(34)31(19-21-12-8-9-13-21)40(36,37)23-16-14-22(38-4)15-17-23/h5-7,10-11,14-17,21,24H,8-9,12-13,18-19H2,1-4H3,(H,30,35)/t24-/m1/s1
InChIKey
GQWBXEJRMUMFJQ-XMMPIXPASA-N
Compound name
tert-butyl N-[(2R)-5-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-3,4,5-trioxo-1-phenylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.21924 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.22652 232.8
[M+Na]+ 595.20846 230.0
[M-H]- 571.21196 241.4
[M+NH4]+ 590.25306 236.8
[M+K]+ 611.18240 230.8
[M+H-H2O]+ 555.21650 224.3
[M+HCOO]- 617.21744 243.4
[M+CH3COO]- 631.23309 255.1
[M+Na-2H]- 593.19391 229.7
[M]+ 572.21869 237.8
[M]- 572.21979 237.8
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.