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113572-66-0 | L-Leucine, L-cysteinyl-
CAS No: 113572-66-0 Catalog No: AG00091J MDL No:
Product Description
Catalog Number:
AG00091J
Chemical Name:
L-Leucine, L-cysteinyl-
CAS Number:
113572-66-0
Molecular Formula:
C9H18N2O3S
Molecular Weight:
234.3158
IUPAC Name:
(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C9H18N2O3S/c1-5(2)3-7(9(13)14)11-8(12)6(10)4-15/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1
InChI Key:
NXTYATMDWQYLGJ-BQBZGAKWSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
234.104g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
234.314g/mol
Monoisotopic Mass:
234.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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