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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H13NO3
Molecular Weight 159.183
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYLVALINE

SMILES

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

InChI

InChIKey=IHYJTAOFMMMOPX-LURJTMIESA-N
InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H13NO3
Molecular Weight 159.183
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
2₄-SEMA as a sensitive and offset compensated SLF sequence.
2010-12
Interresidue carbonyl-carbonyl polarization transfer experiments in uniformly 13C,15N-labeled peptides and proteins.
2010-03
14N Polarization Inversion Spin Exchange at Magic Angle (PISEMA).
2009-01
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.
2008-03
Determination of methyl 13C-15N dipolar couplings in peptides and proteins by three-dimensional and four-dimensional magic-angle spinning solid-state NMR spectroscopy.
2008-02-07
High-resolution heteronuclear correlation spectroscopy in solid state NMR of aligned samples.
2007-09
Solid-state NMR and quantum chemical investigations of 13Calpha shielding tensor magnitudes and orientations in peptides: determining phi and psi torsion angles.
2005-05-04
Single-scan longitudinal relaxation measurements in high-resolution NMR spectroscopy.
2003-10
Rotational resonance NMR: separation of dipolar coupling and zero quantum relaxation.
2003-09
A 2D MAS solid-state NMR method to recover the amplified heteronuclear dipolar and chemical shift anisotropic interactions.
2002-11-07
Determination of calpha chemical shift tensor orientation in peptides by dipolar-modulated chemical shift recoupling NMR spectroscopy.
2002-03-20
Heteronuclear recoupling in solid-state magic-angle-spinning NMR via overtone irradiation.
2001-10-24
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:57:43 GMT 2025
Edited
by admin
on Mon Mar 31 21:57:43 GMT 2025
Record UNII
U83P7H9HV3
Record Status Validated (UNII)
Record Version
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Name Type Language
N-ACETYLVALINE
Systematic Name English
L-N-ACETYLVALINE
Preferred Name English
(S)-2-ACETAMIDO-3-METHYLBUTANOIC ACID
Systematic Name English
VALINE, N-ACETYL-, L-
Systematic Name English
L-VALINE, N-ACETYL-
Systematic Name English
S-(-)-N-ACETYLVALINE
Common Name English
Code System Code Type Description
RXCUI
2604632
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
PRIMARY
DAILYMED
U83P7H9HV3
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID40914697
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
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FDA UNII
U83P7H9HV3
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
PRIMARY
PUBCHEM
66789
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
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CAS
96-81-1
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
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CHEBI
21565
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
PRIMARY
ECHA (EC/EINECS)
202-537-8
Created by admin on Mon Mar 31 21:57:43 GMT 2025 , Edited by admin on Mon Mar 31 21:57:43 GMT 2025
PRIMARY