4-methyl-6-[1-(methylamino)-5-oxidanyl-pentan-3-yl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 4-methyl-6-[1-(methylamino)-5-oxidanyl-pentan-3-yl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-[1-(2-hydroxyethyl)-3-(methylamino)propyl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-[1-hydroxy-5-(methylamino)pentan-3-yl]-4-methyl-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-[1-hydroxy-5-(methylamino)pentan-3-yl]-4-methyl-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-[1-(2-hydroxyethyl)-3-(methylamino)propyl]-7-keto-4-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)(C(CCNC)CCO)SC3CCNC3)C(=O)O

Isomeric SMILES

CC1C=C(N2C1C(C2=O)(C(CCNC)CCO)SC3CCNC3)C(=O)O

InChI

InChI=1S/C18H29N3O4S/c1-11-9-14(16(23)24)21-15(11)18(17(21)25,26-13-4-7-20-10-13)12(5-8-22)3-6-19-2/h9,11-13,15,19-20,22H,3-8,10H2,1-2H3,(H,23,24)