Name: Name:(2S)-2-((1,1-Dioxidotetrahydrothiophen-3-yl)amino)-4-methylpentanoic acid
Brand: Angene
SKU: AG0059X7
Rating: 90 (10 reviews)

(2S)-2-((1,1-Dioxidotetrahydrothiophen-3-yl)amino)-4-methylpentanoic acid

CAS No.:

792893-05-1

Catalog Number:

AG0059X7

Molecular Formula:

C10H19NO4S

Molecular Weight:

249.3272

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$64

- +

Product Description

Catalog Number:

AG0059X7

Chemical Name:

(2S)-2-((1,1-Dioxidotetrahydrothiophen-3-yl)amino)-4-methylpentanoic acid

CAS Number:

792893-05-1

Molecular Formula:

C10H19NO4S

Molecular Weight:

249.3272

MDL Number:

MFCD00449173

IUPAC Name:

2-[(1,1-dioxothiolan-3-yl)amino]-4-methylpentanoic acid

InChI:

InChI=1S/C10H19NO4S/c1-7(2)5-9(10(12)13)11-8-3-4-16(14,15)6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)

InChI Key:

TVGAJMRKHDUNPB-UHFFFAOYSA-N

SMILES:

CC(C[C@@H](C(=O)O)NC1CCS(=O)(=O)C1)C

Properties

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.325g/mol

Monoisotopic Mass:

249.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.6

Literature

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

Properties