4-methyl-6-[3-(4-methylpiperazin-1-yl)-1-oxidanyl-3-oxidanylidene-propyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 4-methyl-6-[3-(4-methylpiperazin-1-yl)-1-oxidanyl-3-oxidanylidene-propyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[1-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[1-hydroxy-3-(4-methyl-1-piperazinyl)-3-oxopropyl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[1-hydroxy-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[1-hydroxy-3-keto-3-(4-methylpiperazino)propyl]-7-keto-4-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C(CC(=O)N3CCN(CC3)C)O)SC4CCNC4)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C(CC(=O)N3CCN(CC3)C)O)SC4CCNC4)C(=O)O

InChI

InChI=1S/C20H30N4O5S/c1-12-9-14(18(27)28)24-17(12)20(19(24)29,30-13-3-4-21-11-13)15(25)10-16(26)23-7-5-22(2)6-8-23/h9,12-13,15,17,21,25H,3-8,10-11H2,1-2H3,(H,27,28)