Einecs 255-397-5

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Basic information

CAS: 41489-05-8
Standard SMILES: CCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccccc1.O=C1CCC(C(=O)O)N1
InChIKey: POHUGFHPMCAEQL-FTBISJDPSA-N
Molecular formula: C28H46N2O5
Average molar mass: 490.7 g/mol
Monoisotopic mass: 490.34067257

Names & identifiers

Preferred name: Einecs 255-397-5
IUPAC: 5-oxopyrrolidine-2-carboxylic acid;tetradecyl (2S)-2-amino-3-phenylpropanoate

Names & synonyms

EINECS 255-397-541489-05-85-Oxo-DL-proline, compound with tetradecyl 3-phenyl-L-alaninate (1:1)DTXSID709617555-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--tetradecyl L-phenylalaninate (1/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--tetradecyl phenylalaninate (1/1)

Database identifiers

CAS: 41489-05-8
PubChem CID: 6451744
DTXSID: DTXSID70961755
EC Number: 255-397-5

Properties

Computed structural properties

Topological polar surface area: 119 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 18
Heavy atoms: 35
Formal charge: 0
Complexity: 480

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Compound notes

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