3,3'-((2-(Dodecylamino)-2-oxoethylthio)carbonothioylazanediyl)dipropanoic acid

HCID 4534640

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Basic information

CAS: 146853-41-0
Standard SMILES: CCCCCCCCCCCCNC(=O)CSC(=S)N(CCC(=O)O)CCC(=O)O
InChIKey: XQHZGWNIQWQHHS-UHFFFAOYSA-N
Molecular formula: C21H38N2O5S2
Average molar mass: 462.7 g/mol
Monoisotopic mass: 462.22221466

Names & identifiers

Preferred name: 3,3'-((2-(Dodecylamino)-2-oxoethylthio)carbonothioylazanediyl)dipropanoic acid
IUPAC: 3-[2-carboxyethyl-[2-(dodecylamino)-2-oxoethyl]sulfanylcarbothioylamino]propanoic acid
English name: 3,3'-((2-(Dodecylamino)-2-oxoethylthio)carbonothioylazanediyl)dipropanoic acid
Molecular weight: 0

Names & synonyms

AKOS024353813ST509801123,3'-((2-(DODECYLAMINO)-2-OXOETHYLTHIO)CARBONOTHIOYLAZANEDIYL)DIPROPANOIC ACID3-((2-carboxyethyl){[(N-dodecylcarbamoyl)methylthio]thioxomethyl}amino)propano ic acid

Database identifiers

CAS: 146853-41-0
PubChem CID: 4534640
EC Number: 138-495-1

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 164 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 20
Heavy atoms: 30
Formal charge: 0
Complexity: 500

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMA ALDRICH IRELAND LTD[email protected]

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