7-oxidanylidene-6-[3-(pyrrolidin-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-(pyrrolidin-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-(pyrrolidine-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-pyrrolidinyl)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-(pyrrolidine-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-(prolylamino)pyrrolidine-1-carbonyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)O)SC5CCNC5

Isomeric SMILES

C1CC(NC1)C(=O)NC2CCN(C2)C(=O)C3(C4CC=C(N4C3=O)C(=O)O)SC5CCNC5

InChI

InChI=1S/C21H29N5O5S/c27-17(14-2-1-7-23-14)24-12-6-9-25(11-12)19(30)21(32-13-5-8-22-10-13)16-4-3-15(18(28)29)26(16)20(21)31/h3,12-14,16,22-23H,1-2,4-11H2,(H,24,27)(H,28,29)