CAS 147291-69-8 | Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester | CAS Number 147291-69-8

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147291-69-8 | Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester

CAS No: 147291-69-8 Catalog No: AG001ERM MDL No:MFCD00395082

Product Description

Catalog Number:

AG001ERM

Chemical Name:

Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(phenylmethyl) ester

CAS Number:

147291-69-8

Molecular Formula:

C16H20NO6-

Molecular Weight:

322.3331

MDL Number:

MFCD00395082

IUPAC Name:

2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic acid

InChI:

InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)

InChI Key:

SOHLZANWVLCPHK-UHFFFAOYSA-N

SMILES:

O=C(C[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C)OCc1ccccc1

EC Number:

231-406-8

NSC Number:

118538

Properties

Complexity:

423

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.345g/mol

Monoisotopic Mass:

323.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Transesterification and amide cis-trans isomerization in Zn and Cd complexes of the chelating amino acid ligand Boc-Asp(Dpa)-OBzl.	Dalton transactions (Cambridge, England : 2003) 20070107
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