CAS 1947-00-8 | Z-ε-Acp-OH | CAS Number 1947-00-8

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1947-00-8 | Z-ε-Acp-OH

CAS No: 1947-00-8 Catalog No: AG003SVR MDL No:MFCD00004423

Product Description

Catalog Number:

AG003SVR

Chemical Name:

Z-ε-Acp-OH

CAS Number:

1947-00-8

Molecular Formula:

C14H19NO4

Molecular Weight:

265.3050

MDL Number:

MFCD00004423

IUPAC Name:

6-(phenylmethoxycarbonylamino)hexanoic acid

InChI:

InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)

InChI Key:

RXQDBVWDABAAHL-UHFFFAOYSA-N

SMILES:

OC(=O)CCCCCNC(=O)OCc1ccccc1

EC Number:

217-748-0

NSC Number:

92812

Properties

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.309g/mol

Monoisotopic Mass:

265.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase.	Journal of medicinal chemistry 20090514
An efficient synthesis of a heterobifunctional coupling agent.	Bioconjugate chemistry 20050101