7-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid

HCID 273545

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Basic information

CAS: 26506-45-6
Standard SMILES: NC1CSSCC(C(=O)O)NC1=O
InChIKey: NLBLLPROASDPSC-UHFFFAOYSA-N
Molecular formula: C6H10N2O3S2
Average molar mass: 222.3 g/mol
Monoisotopic mass: 222.01328453

Names & identifiers

Preferred name: 7-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
IUPAC: 7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid

Names & synonyms

7-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid26506-45-6NSC118834NSC 118834SCHEMBL10331880NSC-1188347-Amino-6-oxo-1,2,5-dithiazocane-4-carboxylicacid

Database identifiers

CAS: 26506-45-6
PubChem CID: 273545

Properties

Computed structural properties

XLogP: -3.5
Topological polar surface area: 143 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 224

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