sodium 3,3-dimethyl-7-oxidanylidene-6-[1-oxidanyl-2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]-(phenylmethyl)amino]ethyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3-dimethyl-7-oxidanylidene-6-[1-oxidanyl-2-oxidanylidene-2-[[2-oxidanylidene-2-(propylamino)ethyl]-(phenylmethyl)amino]ethyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[2-[benzyl-[2-oxo-2-(propylamino)ethyl]amino]-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[1-hydroxy-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-(phenylmethyl)amino]ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[2-[benzyl-[2-oxo-2-(propylamino)ethyl]amino]-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[2-[benzyl-[2-keto-2-(propylamino)ethyl]amino]-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C22H28N3NaO6S MolecularWeight: 485.52899

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(CC1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])O.[Na+]

Isomeric SMILES

CCCNC(=O)CN(CC1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H29N3O6S.Na/c1-4-10-23-14(26)12-24(11-13-8-6-5-7-9-13)19(29)16(27)15-18(28)25-17(21(30)31)22(2,3)32-20(15)25;/h5-9,15-17,20,27H,4,10-12H2,1-3H3,(H,23,26)(H,30,31);/q;+1/p-1