(4R,5S,6S)-3-[[(3S,7aS)-3-methyl-1-oxidanylidene-3-phenyl-5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazol-6-yl]sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-[[(3S,7aS)-3-methyl-1-oxidanylidene-3-phenyl-5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazol-6-yl]sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-[[(3S,7aS)-3-methyl-1-oxo-3-phenyl-5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazol-6-yl]sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-[[(3S,7aS)-3-methyl-1-oxo-3-phenyl-5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazol-6-yl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-[[(3S,7aS)-3-methyl-1-oxo-3-phenyl-5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazol-6-yl]sulfanyl]-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-[[(3S,7aS)-1-keto-3-methyl-3-phenyl-5,6,7,7a-tetrahydro-2H-pyrrol[1,2-c]imidazol-6-yl]thio]-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC4C(=O)NC(N4C3)(C)C5=CC=CC=C5)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3C[C@H]4C(=O)N[C@](N4C3)(C)C5=CC=CC=C5)C(=O)O)C(C)O

InChI

InChI=1S/C23H27N3O5S/c1-11-17-16(12(2)27)21(29)26(17)18(22(30)31)19(11)32-14-9-15-20(28)24-23(3,25(15)10-14)13-7-5-4-6-8-13/h4-8,11-12,14-17,27H,9-10H2,1-3H3,(H,24,28)(H,30,31)/t11-,12?,14?,15+,16-,17-,23+/m1/s1