Free Chemical Databases
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[Synonyms]
L-Cyssme
S-(2-Hydroxyethylmercapto)-L-cysteine
NSC689429
L-Alanine, 3-((2-hydroxyethyl)dithio)-
L-Cysteine, mercaptoethanol mixed disulfide
LS-181959
38254-63-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 197.27574 [g/mol] Molecular Formula C5H11NO3S2 XLogP -2.7 H-Bond Donor 3 H-Bond Acceptor 4 Rotatable Bond Count 6 Exact Mass 197.018035 MonoIsotopic Mass 197.018035 Topological Polar Surface Area 83.6 Heavy Atom Count 11 Formal Charge 0 Complexity 122 Isotope Atom Count 0 Defined Atom StereoCenter Count 1 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (2R)-2-amino-3-(2-hydroxyethyldisulfanyl)propanoic acid
Canonical SMILES: C(CSSCC(C(=O)O)N)O
Isomeric SMILES: C(CSSC[C@@H](C(=O)O)N)O
InChI: InChI=1/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,
9)/t4-/m0/s1/f/h8H
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