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

Systemtic Name: 6-[3-(methylaminomethyl)pyrrolidin-1-yl]carbonyl-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[[3-(methylaminomethyl)-1-pyrrolidinyl]-oxomethyl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCN(C1)C(=O)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

Isomeric SMILES

CNCC1CCN(C1)C(=O)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

InChI

InChI=1S/C18H26N4O4S/c1-19-8-11-5-7-21(10-11)16(25)18(27-12-4-6-20-9-12)14-3-2-13(15(23)24)22(14)17(18)26/h2,11-12,14,19-20H,3-10H2,1H3,(H,23,24)