CAS 3067-19-4 | Valine, N-acetyl- | CAS Number 3067-19-4

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3067-19-4 | Valine, N-acetyl-

CAS No: 3067-19-4 Catalog No: AG0030SD MDL No:MFCD00066065

Product Description

Catalog Number:

AG0030SD

Chemical Name:

Valine, N-acetyl-

CAS Number:

3067-19-4

Molecular Formula:

C7H13NO3

Molecular Weight:

159.1830

MDL Number:

MFCD00066065

IUPAC Name:

2-acetamido-3-methylbutanoic acid

InChI:

InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)

InChI Key:

IHYJTAOFMMMOPX-UHFFFAOYSA-N

SMILES:

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

EC Number:

221-321-4

Properties

Complexity:

165

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.185g/mol

Monoisotopic Mass:

159.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Anti-NMDA receptor antibodies in a case of MELAS syndrome.	Journal of neurology 20120301
2₄-SEMA as a sensitive and offset compensated SLF sequence.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20101201
Density functional theory study of N-H...O, O-H...O and C-H...O hydrogen-bonding effects on the 14N and 2H nuclear quadrupole coupling tensors of N-acetyl-valine.	Biophysical chemistry 20080301
High-resolution heteronuclear correlation spectroscopy in solid state NMR of aligned samples.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20070901
Solid-state NMR and quantum chemical investigations of 13Calpha shielding tensor magnitudes and orientations in peptides: determining phi and psi torsion angles.	Journal of the American Chemical Society 20050504
Single-scan longitudinal relaxation measurements in high-resolution NMR spectroscopy.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20031001
Rotational resonance NMR: separation of dipolar coupling and zero quantum relaxation.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20030901
Determination of calpha chemical shift tensor orientation in peptides by dipolar-modulated chemical shift recoupling NMR spectroscopy.	Journal of the American Chemical Society 20020320
A 2D MAS solid-state NMR method to recover the amplified heteronuclear dipolar and chemical shift anisotropic interactions.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20020101
Heteronuclear recoupling in solid-state magic-angle-spinning NMR via overtone irradiation.	Journal of the American Chemical Society 20011024