CAS 23506-41-4 | L-Leucine, N-acetyl-L-valyl- | CAS Number 23506-41-4

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23506-41-4 | L-Leucine, N-acetyl-L-valyl-

CAS No: 23506-41-4 Catalog No: AG002NG9 MDL No:

Product Description

Catalog Number:

AG002NG9

Chemical Name:

L-Leucine, N-acetyl-L-valyl-

CAS Number:

23506-41-4

Molecular Formula:

C13H24N2O4

Molecular Weight:

272.3407

IUPAC Name:

(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylpentanoic acid

InChI:

InChI=1S/C13H24N2O4/c1-7(2)6-10(13(18)19)15-12(17)11(8(3)4)14-9(5)16/h7-8,10-11H,6H2,1-5H3,(H,14,16)(H,15,17)(H,18,19)/t10-,11-/m0/s1

InChI Key:

KXJIASGDDBUKJR-QWRGUYRKSA-N

SMILES:

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

Properties

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.345g/mol

Monoisotopic Mass:

272.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Simultaneous acquisition of homonuclear and heteronuclear long-distance contacts with time-shared third spin assisted recoupling.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20120501
Cross-correlations between low-γ nuclei in solids via a common dipolar bath.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20110901
On the performance of spin diffusion NMR techniques in oriented solids: prospects for resonance assignments and distance measurements from separated local field experiments.	The journal of physical chemistry. B 20101104
Two-dimensional homonuclear chemical shift correlation established by the cross-relaxation driven spin diffusion in solids.	The Journal of chemical physics 20080207
(13)C-(13)C distance measurements in U-(13)C, (15)N-labeled peptides using rotational resonance width experiment with a homogeneously broadened matching condition.	Journal of magnetic resonance (San Diego, Calif. : 1997) 20070901
3D TEDOR NMR experiments for the simultaneous measurement of multiple carbon-nitrogen distances in uniformly (13)C,(15)N-labeled solids.	Journal of the American Chemical Society 20020911
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