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

Systemtic Name: 3-[5-[[1-(aminocarbonylamino)-2-methyl-propan-2-yl]oxymethyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[5-[(1,1-dimethyl-2-ureido-ethoxy)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: 3-[[5-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[5-[[1-(carbamoylamino)-2-methylpropan-2-yl]oxymethyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[5-[(1,1-dimethyl-2-ureido-ethoxy)methyl]pyrrolidin-3-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H32N4O6S MolecularWeight: 456.55628

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)COC(C)(C)CNC(=O)N)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)COC(C)(C)CNC(=O)N)C(=O)O)C(C)O

InChI

InChI=1S/C20H32N4O6S/c1-9-14-13(10(2)25)17(26)24(14)15(18(27)28)16(9)31-12-5-11(22-6-12)7-30-20(3,4)8-23-19(21)29/h9-14,22,25H,5-8H2,1-4H3,(H,27,28)(H3,21,23,29)