CAS 177158-20-2 | Heptanamide, N-[(3S)-tetrahydro-2-oxo-3-furanyl]- | CAS Number 177158-20-2

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177158-20-2 | Heptanamide, N-[(3S)-tetrahydro-2-oxo-3-furanyl]-

CAS No: 177158-20-2 Catalog No: AG002546 MDL No:MFCD11113138

Product Description

Catalog Number:

AG002546

Chemical Name:

Heptanamide, N-[(3S)-tetrahydro-2-oxo-3-furanyl]-

CAS Number:

177158-20-2

Molecular Formula:

C11H19NO3

Molecular Weight:

213.2735

MDL Number:

MFCD11113138

IUPAC Name:

N-[(3S)-2-oxooxolan-3-yl]heptanamide

InChI:

InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1

InChI Key:

FTMZLSDESAOPSZ-VIFPVBQESA-N

SMILES:

CCCCCCC(=O)N[C@H]1CCOC1=O

Properties

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.277g/mol

Monoisotopic Mass:

213.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Production of the quorum-sensing molecules N-acylhomoserine lactones by endobacteria associated with Mortierella alpina A-178.	Chembiochem : a European journal of chemical biology 20120813
N-acyl-homoserine lactones from Enterobacter sakazakii (Cronobacter spp.) and their degradation by Bacillus cereus enzymes.	Journal of agricultural and food chemistry 20120118
Medicinal chemistry as a conduit for the modulation of quorum sensing.	Journal of medicinal chemistry 20101111
Theoretical and structural analysis of the active site of the transcriptional regulators LasR and TraR, using molecular docking methodology for identifying potential analogues of acyl homoserine lactones (AHLs) with anti-quorum sensing activity.	European journal of medicinal chemistry 20100201
[Cloning of phzIR from the endophytic Pseudomonas sp. G5 and its expression in Escherichia coli].	Sheng wu gong cheng xue bao = Chinese journal of biotechnology 20090601
Acyl-homoserine lactones from Erwinia psidii R. IBSBF 435T, a guava phytopathogen (Psidium guajava L.).	Journal of agricultural and food chemistry 20050810