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126759-07-7 | L-Valine, N-L-isoleucyl-, monohydrochloride (9CI)
CAS No: 126759-07-7 Catalog No: AG000T79 MDL No:
Product Description
Catalog Number:
AG000T79
Chemical Name:
L-Valine, N-L-isoleucyl-, monohydrochloride (9CI)
CAS Number:
126759-07-7
Molecular Formula:
C11H23ClN2O3
Molecular Weight:
266.7649
IUPAC Name:
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbutanoic acid;hydrochloride
InChI:
InChI=1S/C11H22N2O3.ClH/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16;/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16);1H/t7-,8-,9-;/m0./s1
InChI Key:
VQFCSGIEPNGLNR-YWUTZLAHSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)C(C)C)N)C.Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
266.14g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
266.766g/mol
Monoisotopic Mass:
266.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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