Name: Name:(2R)-2-(benzenesulfonamido)-3-methyl-butanoate
Brand: Angene
SKU: AG004O81
Rating: 90 (10 reviews)

(2R)-2-(benzenesulfonamido)-3-methyl-butanoate

CAS No.:

85849-94-1

Catalog Number:

AG004O81

Molecular Formula:

C11H14NO4S-

Molecular Weight:

256.2982

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG004O81

Chemical Name:

(2R)-2-(benzenesulfonamido)-3-methyl-butanoate

CAS Number:

85849-94-1

Molecular Formula:

C11H14NO4S-

Molecular Weight:

256.2982

MDL Number:

MFCD00175041

IUPAC Name:

2-(benzenesulfonamido)-3-methylbutanoic acid

InChI:

InChI=1S/C11H15NO4S/c1-8(2)10(11(13)14)12-17(15,16)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3,(H,13,14)

InChI Key:

AGDVYAPPQUVBHB-UHFFFAOYSA-N

SMILES:

CC([C@H](C(=O)[O-])NS(=O)(=O)c1ccccc1)C

Properties

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.304g/mol

Monoisotopic Mass:

257.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101