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

Systemtic Name: 4-methyl-7-oxidanylidene-6-(2-oxidanyl-3-oxidanylidene-3-piperazin-1-yl-propyl)-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(2-hydroxy-3-oxo-3-piperazin-1-yl-propyl)-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[2-hydroxy-3-oxo-3-(1-piperazinyl)propyl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(2-hydroxy-3-oxo-3-piperazin-1-ylpropyl)-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(2-hydroxy-3-keto-3-piperazino-propyl)-7-keto-4-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H28N4O5S MolecularWeight: 424.51442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(CC(C(=O)N3CCNCC3)O)SC4CCNC4)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(CC(C(=O)N3CCNCC3)O)SC4CCNC4)C(=O)O

InChI

InChI=1S/C19H28N4O5S/c1-11-8-13(17(26)27)23-15(11)19(18(23)28,29-12-2-3-21-10-12)9-14(24)16(25)22-6-4-20-5-7-22/h8,11-12,14-15,20-21,24H,2-7,9-10H2,1H3,(H,26,27)