CAS 127001-58-5 | D-Aspartic acid, 3-methyl- | CAS Number 127001-58-5

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127001-58-5 | D-Aspartic acid, 3-methyl-

CAS No: 127001-58-5 Catalog No: AG000WJC MDL No:

Product Description

Catalog Number:

AG000WJC

Chemical Name:

D-Aspartic acid, 3-methyl-

CAS Number:

127001-58-5

Molecular Formula:

C5H9NO4

Molecular Weight:

147.1293

IUPAC Name:

2-amino-3-methylbutanedioic acid

InChI:

InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)

InChI Key:

LXRUAYBIUSUULX-UHFFFAOYSA-N

SMILES:

OC(=O)[C@@H](C(C(=O)O)C)N

Properties

Complexity:

156

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.13g/mol

Monoisotopic Mass:

147.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.3

Literature

Title	Journal
Engineering methylaspartate ammonia lyase for the asymmetric synthesis of unnatural amino acids.	Nature chemistry 20120429
Hydrogen tunneling in adenosylcobalamin-dependent glutamate mutase: evidence from intrinsic kinetic isotope effects measured by intramolecular competition.	Biochemistry 20100413
Synthesis of beta-(S-methyl)thioaspartic acid and derivatives.	Bioorganic & medicinal chemistry 20080601
Incorporation of (2S,3S) and (2S,3R) beta-methyl aspartic acid into RGD-containing peptides.	Bioorganic & medicinal chemistry 20021001
The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.	The Journal of biological chemistry 20020308
The role of the active site glutamate in the rearrangement of glutamate to 3-methylaspartate catalyzed by adenosylcobalamin-dependent glutamate mutase.	Chemistry & biology 20011201
Interconversion of (S)-glutamate and (2S,3S)-3-methylaspartate: a distinctive B(12)-dependent carbon-skeleton rearrangement.	Journal of the American Chemical Society 20010822
Purification and characterization of beta-methylaspartase from Fusobacterium varium.	Molecular and cellular biochemistry 20010501