1.0 2026-03-31 20:44:38 UTC 2026-04-15 17:38:31 UTC Rotamicillin SmallMolecule Rotamicillin is an organic compound with the chemical formula C28H31N5O5S1. Rotamicillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 549.65 g/mol, Rotamicillin is a heavy molecule. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for this compound include oral and inhalation. (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(((2R)-2-phenyl-2-(((4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl)acetyl)amino)acetyl)amino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-phenyl-2-(2-(4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl)acetamido(acetamido-4-thia-1-azabicyclo(3.2.0)heptan-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-1-oxo-2-[[1-oxo-2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]amino]-2-phenylethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethanoylamino]ethanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[(2R)-2-phenyl-2-({[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]acetyl}amino)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2S,5R,6R)-7-keto-3,3-dimethyl-6-[[(2R)-2-phenyl-2-[[2-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-[[2-[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]acetyl]amino]acetyl]amino]-, (2S,5R,6R)- Rotamicillin Rotamicillin [INN] UNII-JS13873052 UNII:JS13873052 C28H31N5O5S1 549.65 549.20459 55530-41-1 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CC3=CC=C(C=C3)C3=NCCCN3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O InChI=1S/C28H31N5O5S/c1-28(2)22(27(37)38)33-25(36)21(26(33)39-28)32-24(35)20(17-7-4-3-5-8-17)31-19(34)15-16-9-11-18(12-10-16)23-29-13-6-14-30-23/h3-5,7-12,20-22,26H,6,13-15H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)(H,37,38)/t20-,21-,22+,26-/m1/s1 PXNNCSKFUDOUJS-ZUVQJFRASA-N Detected and Not Quantified average_mass 549.65 ChemAxon mono_mass 549.20459 ChemAxon smiles CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CC3=CC=C(C=C3)C3=NCCCN3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O ChemAxon formula C28H31N5O5S1 ChemAxon inchi InChI=1S/C28H31N5O5S/c1-28(2)22(27(37)38)33-25(36)21(26(33)39-28)32-24(35)20(17-7-4-3-5-8-17)31-19(34)15-16-9-11-18(12-10-16)23-29-13-6-14-30-23/h3-5,7-12,20-22,26H,6,13-15H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)(H,37,38)/t20-,21-,22+,26-/m1/s1 ChemAxon inchikey PXNNCSKFUDOUJS-ZUVQJFRASA-N ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226220b60> DB20844 3058737 2319838