sodium 3-[[2-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[2-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-[(2-amino-3-hydroxy-3-oxo-propyl)sulfonylamino]-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-[(2-amino-3-hydroxy-3-oxopropyl)sulfonylamino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-[(2-amino-3-hydroxy-3-oxopropyl)sulfonylamino]-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-[(2-amino-3-hydroxy-3-keto-propyl)sulfonylamino]-2-phenyl-acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C14H17N4NaO9S2 MolecularWeight: 472.42595

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)CC(C(=O)O)N.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)NS(=O)(=O)CC(C(=O)O)N.[Na+]

InChI

InChI=1S/C14H18N4O9S2.Na/c15-9(14(21)22)7-28(23,24)17-11(8-4-2-1-3-5-8)12(19)16-10-6-18(13(10)20)29(25,26)27;/h1-5,9-11,17H,6-7,15H2,(H,16,19)(H,21,22)(H,25,26,27);/q;+1/p-1