6-(1-hydroxyethyl)-4-methyl-3-[5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-allyloxycarbonyl-5-[(4-methyl-2-oxo-piperazin-1-yl)methyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[[5-[(4-methyl-2-oxo-1-piperazinyl)methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[1-allyloxycarbonyl-5-[(2-keto-4-methyl-piperazino)methyl]pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C24H34N4O7S MolecularWeight: 522.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)CN4CCN(CC4=O)C)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)CN4CCN(CC4=O)C)C(=O)O)C(C)O

InChI

InChI=1S/C24H34N4O7S/c1-5-8-35-24(34)27-11-16(9-15(27)10-26-7-6-25(4)12-17(26)30)36-21-13(2)19-18(14(3)29)22(31)28(19)20(21)23(32)33/h5,13-16,18-19,29H,1,6-12H2,2-4H3,(H,32,33)