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

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-3-[5-(5-oxidanylidene-1-prop-2-enoxycarbonyl-piperazin-2-yl)-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-allyloxycarbonyl-5-(1-allyloxycarbonyl-5-oxo-piperazin-2-yl)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-7-oxo-3-[[5-[5-oxo-1-[oxo(prop-2-enoxy)methyl]-2-piperazinyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[5-(5-oxo-1-prop-2-enoxycarbonylpiperazin-2-yl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[1-allyloxycarbonyl-5-(1-allyloxycarbonyl-5-keto-piperazin-2-yl)pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C26H34N4O9S MolecularWeight: 578.63456

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C4CNC(=O)CN4C(=O)OCC=C)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C4CNC(=O)CN4C(=O)OCC=C)C(=O)O)C(C)O

InChI

InChI=1S/C26H34N4O9S/c1-5-7-38-25(36)28-11-15(9-16(28)17-10-27-18(32)12-29(17)26(37)39-8-6-2)40-22-13(3)20-19(14(4)31)23(33)30(20)21(22)24(34)35/h5-6,13-17,19-20,31H,1-2,7-12H2,3-4H3,(H,27,32)(H,34,35)