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-carboxylic acid

Systemtic Name: 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-carboxylic acid Openeye Name: 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-carboxylic acid CAS Name: 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-carboxylic acid IUPAC Name: 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-carboxylic acid Traditional Name: 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-carboxylic acid Formula: C22H29N3O6S MolecularWeight: 463.54716

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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

Isomeric SMILES

CCCNC(=O)CN(CC1=CC=CC=C1)C(=O)C(C2C3N(C2=O)C(C(S3)(C)C)C(=O)O)O

InChI

InChI=1S/C22H29N3O6S/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)