Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate

HCID 232180

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Basic information

CAS: 5472-74-2
Standard SMILES: COC(=O)CSCC(NC(=O)c1ccccc1)C(=O)OC
InChIKey: UGVRTIQVOVBKSL-UHFFFAOYSA-N
Molecular formula: C14H17NO5S
Average molar mass: 311.36 g/mol
Monoisotopic mass: 311.08274382

Names & identifiers

Preferred name: Methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
IUPAC: methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate

Names & synonyms

5472-74-2methyl 2-benzamido-3-(2-methoxy-2-oxoethyl)sulfanylpropanoatemethyl n-benzoyl-s-(2-methoxy-2-oxoethyl)cysteinateNSC29414NSC-29414AG-690/11350726methyl 2-(benzoylamino)-3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoate

Database identifiers

CAS: 5472-74-2
PubChem CID: 232180

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 107 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 368

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