sodium (2S,3S)-3-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)-phenyl-carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)-phenyl-carbamoyl]oxirane-2-carboxylate Openeye Name: sodium (2S,3S)-3-[(2-morpholino-2-oxo-ethyl)-phenyl-carbamoyl]oxirane-2-carboxylate CAS Name: sodium (2S,3S)-3-[(N-[2-(4-morpholinyl)-2-oxoethyl]anilino)-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium (2S,3S)-3-[(2-morpholin-4-yl-2-oxoethyl)-phenylcarbamoyl]oxirane-2-carboxylate Traditional Name: sodium (2S,3S)-3-[(2-keto-2-morpholino-ethyl)-phenyl-carbamoyl]oxirane-2-carboxylate Formula: C16H17N2NaO6 MolecularWeight: 356.30575

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN(C2=CC=CC=C2)C(=O)C3C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

C1COCCN1C(=O)CN(C2=CC=CC=C2)C(=O)[C@@H]3[C@H](O3)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H18N2O6.Na/c19-12(17-6-8-23-9-7-17)10-18(11-4-2-1-3-5-11)15(20)13-14(24-13)16(21)22;/h1-5,13-14H,6-10H2,(H,21,22);/q;+1/p-1/t13-,14-;/m0./s1