6-methyl-3-[1-(methylamino)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-methyl-3-[1-(methylamino)-2-oxidanylidene-2-piperazin-1-yl-ethyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-methyl-3-[1-(methylamino)-2-oxo-2-piperazin-1-yl-ethyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-methyl-3-[1-(methylamino)-2-oxo-2-(1-piperazinyl)ethyl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-methyl-3-[1-(methylamino)-2-oxo-2-piperazin-1-ylethyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-3-[2-keto-1-(methylamino)-2-piperazino-ethyl]-6-methyl-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H29N5O4S MolecularWeight: 423.52966

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(=C(N2C1=O)C(=O)O)C(C(=O)N3CCNCC3)NC)SC4CCNC4

Isomeric SMILES

CC1(C2CC(=C(N2C1=O)C(=O)O)C(C(=O)N3CCNCC3)NC)SC4CCNC4

InChI

InChI=1S/C19H29N5O4S/c1-19(29-11-3-4-22-10-11)13-9-12(15(17(26)27)24(13)18(19)28)14(20-2)16(25)23-7-5-21-6-8-23/h11,13-14,20-22H,3-10H2,1-2H3,(H,26,27)