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

Systemtic Name: 6-[4-(methylamino)-1-morpholin-4-yl-1-oxidanylidene-butan-2-yl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[3-(methylamino)-1-(morpholine-4-carbonyl)propyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[4-(methylamino)-1-(4-morpholinyl)-1-oxobutan-2-yl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[4-(methylamino)-1-morpholin-4-yl-1-oxobutan-2-yl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-6-[3-(methylamino)-1-(morpholine-4-carbonyl)propyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C(=O)N1CCOCC1)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

Isomeric SMILES

CNCCC(C(=O)N1CCOCC1)C2(C3CC=C(N3C2=O)C(=O)O)SC4CCNC4

InChI

InChI=1S/C20H30N4O5S/c1-21-6-5-14(17(25)23-8-10-29-11-9-23)20(30-13-4-7-22-12-13)16-3-2-15(18(26)27)24(16)19(20)28/h2,13-14,16,21-22H,3-12H2,1H3,(H,26,27)