CID 481258

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

Structural Information

Molecular Formula
C27H34N2O8S
SMILES
CC(C)CN(C(=O)C(=O)C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C27H34N2O8S/c1-18(2)17-29(38(34,35)21-14-12-20(36-6)13-15-21)25(32)24(31)23(30)22(16-19-10-8-7-9-11-19)28-26(33)37-27(3,4)5/h7-15,18,22H,16-17H2,1-6H3,(H,28,33)/t22-/m1/s1
InChIKey
JRANZIMCXMFJQQ-JOCHJYFZSA-N
Compound name
tert-butyl N-[(2R)-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3,4,5-trioxo-1-phenylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.2036 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.21088 225.0
[M+Na]+ 569.19282 223.8
[M-H]- 545.19632 230.9
[M+NH4]+ 564.23742 228.7
[M+K]+ 585.16676 224.9
[M+H-H2O]+ 529.20086 215.9
[M+HCOO]- 591.20180 235.9
[M+CH3COO]- 605.21745 253.5
[M+Na-2H]- 567.17827 222.7
[M]+ 546.20305 233.1
[M]- 546.20415 233.1
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.