(6R,7R)-3-(acetyloxymethyl)-7-[3-[3-ethanoyl-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]propanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[3-[3-ethanoyl-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]propanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[3-[3-acetyl-2-methyl-5-(p-tolyl)pyrrol-1-yl]propanoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[3-[3-acetyl-2-methyl-5-(4-methylphenyl)-1-pyrrolyl]-1-oxopropyl]amino]-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[3-[3-acetyl-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]propanoylamino]-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[3-[3-acetyl-2-methyl-5-(p-tolyl)pyrrol-1-yl]propanoylamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(N2CCC(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(N2CCC(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O)C)C(=O)C

InChI

InChI=1S/C27H29N3O7S/c1-14-5-7-18(8-6-14)21-11-20(16(3)31)15(2)29(21)10-9-22(33)28-23-25(34)30-24(27(35)36)19(12-37-17(4)32)13-38-26(23)30/h5-8,11,23,26H,9-10,12-13H2,1-4H3,(H,28,33)(H,35,36)/t23-,26-/m1/s1