sodium 2-methoxycarbonyl-4-oxidanylidene-3-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]azetidine-1-sulfonate

Systemtic Name: sodium 2-methoxycarbonyl-4-oxidanylidene-3-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]azetidine-1-sulfonate Openeye Name: sodium 3-[(3-benzyloxy-3-oxo-2-phenyl-propanoyl)amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(1,3-dioxo-2-phenyl-3-phenylmethoxypropyl)amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 2-methoxycarbonyl-4-oxo-3-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]azetidine-1-sulfonate Traditional Name: sodium 3-[(3-benzoxy-3-keto-2-phenyl-propanoyl)amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonate Formula: C21H19N2NaO9S MolecularWeight: 498.43833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H20N2O9S.Na/c1-31-21(27)17-16(19(25)23(17)33(28,29)30)22-18(24)15(14-10-6-3-7-11-14)20(26)32-12-13-8-4-2-5-9-13;/h2-11,15-17H,12H2,1H3,(H,22,24)(H,28,29,30);/q;+1/p-1