Name: Name:2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid
Brand: Angene
SKU: AG01BFUA
Rating: 90 (10 reviews)

2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid

CAS No.:

112170-24-8

Catalog Number:

AG01BFUA

Molecular Formula:

C11H11N3O6S

Molecular Weight:

313.2865

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Product Description

Catalog Number:

AG01BFUA

Chemical Name:

2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamido)propanoic acid

CAS Number:

112170-24-8

Molecular Formula:

C11H11N3O6S

Molecular Weight:

313.2865

MDL Number:

MFCD05148320

IUPAC Name:

2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]propanoic acid

InChI:

InChI=1S/C11H11N3O6S/c1-5(11(17)18)14-21(19,20)6-2-3-7-8(4-6)13-10(16)9(15)12-7/h2-5,14H,1H3,(H,12,15)(H,13,16)(H,17,18)

InChI Key:

VMSRTLYZOWBBFW-UHFFFAOYSA-N

SMILES:

OC(=O)C(NS(=O)(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2)C

Properties

Complexity:

569

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.284g/mol

Monoisotopic Mass:

313.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

150A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501