sodium 4-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]thiomorpholine-3-carboxylic acid

Systemtic Name: sodium 4-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]thiomorpholine-3-carboxylic acid Openeye Name: sodium 4-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]thiomorpholine-3-carboxylic acid CAS Name: sodium 4-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3-thiomorpholinecarboxylic acid IUPAC Name: sodium 4-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]thiomorpholine-3-carboxylic acid Traditional Name: sodium 4-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]thiomorpholine-3-carboxylic acid Formula: C18H24N2NaO5S+ MolecularWeight: 403.44833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCSCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O.[Na+]

Isomeric SMILES

CC(C(=O)N1CCSCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O.[Na+]

InChI

InChI=1S/C18H24N2O5S.Na/c1-12(16(21)20-9-10-26-11-15(20)18(24)25)19-14(17(22)23)8-7-13-5-3-2-4-6-13;/h2-6,12,14-15,19H,7-11H2,1H3,(H,22,23)(H,24,25);/q;+1