5-(Ethylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid

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Basic information

CAS: 83870-98-8
Standard SMILES: CCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
InChIKey: RVTVYAMLKHQXSN-UHFFFAOYSA-N
Molecular formula: C14H20N2O5S
Average molar mass: 328.39 g/mol
Monoisotopic mass: 328.10929292

Names & identifiers

Preferred name: 5-(Ethylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
IUPAC: 5-(ethylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid

Names & synonyms

83870-98-8NSC3568095-(ethylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acidDTXSID70320267NSC-356809N-Ethyl-N~2~-(4-methylbenzene-1-sulfonyl)glutamine

Database identifiers

CAS: 83870-98-8
PubChem CID: 337770
DTXSID: DTXSID70320267

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 121 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 478

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Compound notes

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