Name: Name:1-{[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonyl}piperidine-4-carboxylic acid
Brand: Angene
SKU: AG019J03
Rating: 90 (10 reviews)

1-{[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonyl}piperidine-4-carboxylic acid

CAS No.:

731003-70-6

Catalog Number:

AG019J03

Molecular Formula:

C15H19NO8S2

Molecular Weight:

405.4433

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Product Description

Catalog Number:

AG019J03

Chemical Name:

1-{[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonyl}piperidine-4-carboxylic acid

CAS Number:

731003-70-6

Molecular Formula:

C15H19NO8S2

Molecular Weight:

405.4433

MDL Number:

MFCD04625505

IUPAC Name:

1-[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C15H19NO8S2/c1-8-10(13(19)23-2)15(25-11(8)14(20)24-3)26(21,22)16-6-4-9(5-7-16)12(17)18/h9H,4-7H2,1-3H3,(H,17,18)

InChI Key:

ZIGOKIBQBDODBD-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)c(sc1S(=O)(=O)N1CCC(CC1)C(=O)O)C(=O)OC

Properties

Complexity:

666

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

405.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

405.436g/mol

Monoisotopic Mass:

405.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

164A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

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