Name: Name:3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]propanoic acid
Brand: Angene
SKU: AG019IN5
Rating: 90 (10 reviews)

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]propanoic acid

CAS No.:

743444-58-8

Catalog Number:

AG019IN5

Molecular Formula:

C16H24N4O4

Molecular Weight:

336.3862

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Product Description

Catalog Number:

AG019IN5

Chemical Name:

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]propanoic acid

CAS Number:

743444-58-8

Molecular Formula:

C16H24N4O4

Molecular Weight:

336.3862

MDL Number:

MFCD05263168

IUPAC Name:

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoic acid

InChI:

InChI=1S/C16H24N4O4/c1-4-5-8-19-14-13(15(23)18-16(19)24)20(9-10(2)3)11(17-14)6-7-12(21)22/h10H,4-9H2,1-3H3,(H,21,22)(H,18,23,24)

InChI Key:

LPQYOHUQOMNZJF-UHFFFAOYSA-N

SMILES:

CCCCn1c(=O)[nH]c(=O)c2c1nc(n2CC(C)C)CCC(=O)O

Properties

Complexity:

497

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

336.18g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

336.392g/mol

Monoisotopic Mass:

336.18g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

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