N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2)

HCID 40783

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Basic information

CAS: 53478-36-7
Standard SMILES: [Cl-].[Cl-].[NH3+]C(CCCC[NH2+]CCS)C(=O)O
InChIKey: PMQIFYUAIMGDQH-UHFFFAOYSA-N
Molecular formula: C8H20Cl2N2O2S
Average molar mass: 279.23 g/mol
Monoisotopic mass: 278.0622544

Names & identifiers

Preferred name: N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2)
IUPAC: (5-azaniumyl-5-carboxypentyl)-(2-sulfanylethyl)azanium dichloride

Names & synonyms

53478-36-7DTXSID80968194RefChem:1093478DTXCID401395781N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2)N(sup 6)-(2-Mercaptoethyl)lysine dihydrochloride hydrateLYSINE, N(sup 6)-(2-MERCAPTOETHYL)-, HYDROCHLORIDE, HYDRATE (3:6:1), DL-

Database identifiers

CAS: 53478-36-7
PubChem CID: 40783

Properties

Computed structural properties

Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 144

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