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100992-60-7 | L-Leucine, N-[(2R,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-, hydrochloride (1:1)
CAS No: 100992-60-7 Catalog No: AG0003ET MDL No:
Product Description
Catalog Number:
AG0003ET
Chemical Name:
L-Leucine, N-[(2R,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-, hydrochloride (1:1)
CAS Number:
100992-60-7
Molecular Formula:
C16H25ClN2O4
Molecular Weight:
344.8337
IUPAC Name:
(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid;hydrochloride
InChI:
InChI=1S/C16H24N2O4.ClH/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11;/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22);1H/t12-,13+,14-;/m1./s1
InChI Key:
XGDFITZJGKUSDK-FPFZOWOXSA-N
SMILES:
O[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@@H](Cc1ccccc1)N.Cl
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
344.15g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
344.836g/mol
Monoisotopic Mass:
344.15g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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