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

Systemtic Name: 4-methyl-6-[1-(methylamino)-4-oxidanyl-butan-2-yl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[3-hydroxy-1-(methylaminomethyl)propyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[4-hydroxy-1-(methylamino)butan-2-yl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[4-hydroxy-1-(methylamino)butan-2-yl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[3-hydroxy-1-(methylaminomethyl)propyl]-7-keto-4-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H27N3O4S MolecularWeight: 369.47898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C(CCO)CNC)SC3CCNC3)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C(CCO)CNC)SC3CCNC3)C(=O)O

InChI

InChI=1S/C17H27N3O4S/c1-10-7-13(15(22)23)20-14(10)17(16(20)24,11(4-6-21)8-18-2)25-12-3-5-19-9-12/h7,10-12,14,18-19,21H,3-6,8-9H2,1-2H3,(H,22,23)