CAS 3588-57-6 | 2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanoic acid | CAS Number 3588-57-6

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3588-57-6 | 2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanoic acid

CAS No: 3588-57-6 Catalog No: AG003SVP MDL No:MFCD00063150

Product Description

Catalog Number:

AG003SVP

Chemical Name:

2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanoic acid

CAS Number:

3588-57-6

Molecular Formula:

C17H17NO4

Molecular Weight:

299.3212

MDL Number:

MFCD00063150

IUPAC Name:

3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

InChI:

InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)

InChI Key:

RRONHWAVOYADJL-UHFFFAOYSA-N

SMILES:

O=C(NC(C(=O)O)Cc1ccccc1)OCc1ccccc1

EC Number:

222-726-9

Properties

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.326g/mol

Monoisotopic Mass:

299.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
Mechanism of the binding of Z-L-tryptophan and Z-L-phenylalanine to thermolysin and stromelysin-1 in aqueous solutions.	Biochimica et biophysica acta 20120201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Synthesis, characterization and antimicrobial activity of Co(II), Zn(II) and Cd(II) complexes with N-benzyloxycarbonyl-S-phenylalanine.	European journal of medicinal chemistry 20090401
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