CID 472364

2-[(5r)-1-(3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)-2-oxo-5-benzylpyrrolidin-3-yl]acetamide

Structural Information

Molecular Formula
C29H39N3O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CC(C3=O)CC(=O)N)CC4=CC=CC=C4)O
InChI
InChI=1S/C29H39N3O6S/c1-38-26-11-13-27(14-12-26)39(36,37)31(18-22-9-5-6-10-22)19-25(33)20-32-24(15-21-7-3-2-4-8-21)16-23(29(32)35)17-28(30)34/h2-4,7-8,11-14,22-25,33H,5-6,9-10,15-20H2,1H3,(H2,30,34)/t23?,24-,25?/m0/s1
InChIKey
ZGTKLTZTFPPMEM-BQCMWAFGSA-N
Compound name
2-[(5R)-5-benzyl-1-[3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-2-oxopyrrolidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.26328 231.5
[M+Na]+ 580.24522 230.4
[M-H]- 556.24872 241.1
[M+NH4]+ 575.28982 236.4
[M+K]+ 596.21916 227.6
[M+H-H2O]+ 540.25326 223.0
[M+HCOO]- 602.25420 241.9
[M+CH3COO]- 616.26985 252.7
[M+Na-2H]- 578.23067 224.1
[M]+ 557.25545 232.4
[M]- 557.25655 232.4
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.