sodium 3-methoxy-2-oxidanylidene-3-[2-(2-phenylethanoylamino)propanoylamino]azetidine-1-sulfonate

Systemtic Name: sodium 3-methoxy-2-oxidanylidene-3-[2-(2-phenylethanoylamino)propanoylamino]azetidine-1-sulfonate Openeye Name: sodium 3-methoxy-2-oxo-3-[2-[(2-phenylacetyl)amino]propanoylamino]azetidine-1-sulfonate CAS Name: sodium 3-methoxy-2-oxo-3-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]amino]-1-azetidinesulfonate IUPAC Name: sodium 3-methoxy-2-oxo-3-[2-[(2-phenylacetyl)amino]propanoylamino]azetidine-1-sulfonate Traditional Name: sodium 2-keto-3-methoxy-3-[2-[(2-phenylacetyl)amino]propanoylamino]azetidine-1-sulfonate Formula: C15H18N3NaO7S MolecularWeight: 407.37409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CN(C1=O)S(=O)(=O)[O-])OC)NC(=O)CC2=CC=CC=C2.[Na+]

Isomeric SMILES

CC(C(=O)NC1(CN(C1=O)S(=O)(=O)[O-])OC)NC(=O)CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C15H19N3O7S.Na/c1-10(16-12(19)8-11-6-4-3-5-7-11)13(20)17-15(25-2)9-18(14(15)21)26(22,23)24;/h3-7,10H,8-9H2,1-2H3,(H,16,19)(H,17,20)(H,22,23,24);/q;+1/p-1