CID 477372

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

Structural Information

Molecular Formula
C30H40N2O7S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CC(C3=O)CC(=O)OC)CC4=CC=CC=C4)O
InChI
InChI=1S/C30H40N2O7S/c1-38-27-12-14-28(15-13-27)40(36,37)31(19-23-10-6-7-11-23)20-26(33)21-32-25(16-22-8-4-3-5-9-22)17-24(30(32)35)18-29(34)39-2/h3-5,8-9,12-15,23-26,33H,6-7,10-11,16-21H2,1-2H3/t24?,25-,26?/m0/s1
InChIKey
YYKOUDVSITYOQY-JNLGVIEDSA-N
Compound name
methyl 2-[(5R)-5-benzyl-1-[3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-2-oxopyrrolidin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2556 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.26288 236.4
[M+Na]+ 595.24482 235.5
[M-H]- 571.24832 246.4
[M+NH4]+ 590.28942 241.2
[M+K]+ 611.21876 233.5
[M+H-H2O]+ 555.25286 227.9
[M+HCOO]- 617.25380 246.2
[M+CH3COO]- 631.26945 252.1
[M+Na-2H]- 593.23027 228.6
[M]+ 572.25505 240.5
[M]- 572.25615 240.5
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.