sodium 3-[[1-oxidanylidene-1-(3-oxidanylpropylamino)-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium 3-[[1-oxidanylidene-1-(3-oxidanylpropylamino)-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium 3-[[1-benzyl-2-(3-hydroxypropylamino)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium 3-[[[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium 3-[[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium 3-[[1-benzyl-2-(3-hydroxypropylamino)-2-keto-ethyl]carbamoyl]oxirane-2-carboxylate Formula: C16H19N2NaO6 MolecularWeight: 358.32163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCO)NC(=O)C2C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCO)NC(=O)C2C(O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H20N2O6.Na/c19-8-4-7-17-14(20)11(9-10-5-2-1-3-6-10)18-15(21)12-13(24-12)16(22)23;/h1-3,5-6,11-13,19H,4,7-9H2,(H,17,20)(H,18,21)(H,22,23);/q;+1/p-1