6-[3-[(1-methylpyrrolidin-2-yl)carbonylamino]pyrrolidin-1-yl]carbonyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-[3-[(1-methylpyrrolidin-2-yl)carbonylamino]pyrrolidin-1-yl]carbonyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-[3-[(1-methylpyrrolidine-2-carbonyl)amino]pyrrolidine-1-carbonyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[[3-[[(1-methyl-2-pyrrolidinyl)-oxomethyl]amino]-1-pyrrolidinyl]-oxomethyl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[3-[(1-methylpyrrolidine-2-carbonyl)amino]pyrrolidine-1-carbonyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-[3-(hygroylamino)pyrrolidine-1-carbonyl]-7-keto-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C22H30N5O5S- MolecularWeight: 476.5691

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C(=O)NC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)[O-])SC5CCNC5

Isomeric SMILES

CN1CCCC1C(=O)NC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)[O-])SC5CCNC5

InChI

InChI=1S/C22H31N5O5S/c1-25-9-2-3-15(25)18(28)24-13-7-10-26(12-13)20(31)22(33-14-6-8-23-11-14)17-5-4-16(19(29)30)27(17)21(22)32/h4,13-15,17,23H,2-3,5-12H2,1H3,(H,24,28)(H,29,30)/p-1