7-oxidanylidene-6-[3-(piperidin-2-ylcarbonylamino)pyrrolidin-1-yl]carbonyl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-6-[3-(piperidin-2-ylcarbonylamino)pyrrolidin-1-yl]carbonyl-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 7-oxo-6-[3-(piperidine-2-carbonylamino)pyrrolidine-1-carbonyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 7-oxo-6-[oxo-[3-[[oxo(2-piperidinyl)methyl]amino]-1-pyrrolidinyl]methyl]-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 7-oxo-6-[3-(piperidine-2-carbonylamino)pyrrolidine-1-carbonyl]-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[3-(pipecoloylamino)pyrrolidine-1-carbonyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H31N5O5S MolecularWeight: 477.57704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(=O)NC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)O)SC5CCNC5

Isomeric SMILES

C1CCNC(C1)C(=O)NC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)O)SC5CCNC5

InChI

InChI=1S/C22H31N5O5S/c28-18(15-3-1-2-8-24-15)25-13-7-10-26(12-13)20(31)22(33-14-6-9-23-11-14)17-5-4-16(19(29)30)27(17)21(22)32/h4,13-15,17,23-24H,1-3,5-12H2,(H,25,28)(H,29,30)