sodium (2S,3S)-3-[[(2S)-1-morpholin-4-yl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-[[(2S)-1-morpholin-4-yl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium (2S,3S)-3-[[(1S)-2-morpholino-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium (2S,3S)-3-[[[(2S)-1-(4-morpholinyl)-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium (2S,3S)-3-[[(2S)-1-morpholin-4-yl-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium (2S,3S)-3-[[(1S)-2-keto-2-morpholino-1-(2-naphthylmethyl)ethyl]carbamoyl]oxirane-2-carboxylate Formula: C21H21N2NaO6 MolecularWeight: 420.39101

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C4C(O4)C(=O)[O-].[Na+]

Isomeric SMILES

C1COCCN1C(=O)[C@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H]4[C@H](O4)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H22N2O6.Na/c24-19(17-18(29-17)21(26)27)22-16(20(25)23-7-9-28-10-8-23)12-13-5-6-14-3-1-2-4-15(14)11-13;/h1-6,11,16-18H,7-10,12H2,(H,22,24)(H,26,27);/q;+1/p-1/t16-,17-,18-;/m0./s1