7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(Z)-[2-oxidanylidene-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxidanylidene-3-[(Z)-[2-oxidanylidene-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-[(Z)-[1-(1-allyloxycarbonylpyrrolidin-3-yl)-2-oxo-pyrrolidin-3-ylidene]methyl]-7-(tert-butoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-8-oxo-3-[(Z)-[2-oxo-1-[1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]-3-pyrrolidinylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-3-[(Z)-[2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-[(Z)-[1-(1-allyloxycarbonylpyrrolidin-3-yl)-2-keto-pyrrolidin-3-ylidene]methyl]-7-(tert-butoxycarbonylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C25H32N4O8S MolecularWeight: 548.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)C=C3CCN(C3=O)C4CCN(C4)C(=O)OCC=C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)/C=C\3/CCN(C3=O)C4CCN(C4)C(=O)OCC=C)C(=O)O

InChI

InChI=1S/C25H32N4O8S/c1-5-10-36-24(35)27-8-7-16(12-27)28-9-6-14(19(28)30)11-15-13-38-21-17(26-23(34)37-25(2,3)4)20(31)29(21)18(15)22(32)33/h5,11,13,16-18,21H,1,6-10,12H2,2-4H3,(H,26,34)(H,32,33)/b14-11-