1.0 2026-09-22 01:27:04 UTC 2026-09-22 01:27:04 UTC FDB117481 Bacilysin (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid C12H18N2O5 270.285 270.121571688 (2S)-2-[(2S)-2-aminopropanamido]-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid (2S)-2-[(2S)-2-aminopropanamido]-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1 XFOUAXMJRHNTOP-PFQXTLEHSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteropolycyclic compounds Alanine and derivatives Alpha amino acid amides Amino acids Carbocyclic fatty acids Carboxylic acids Dialkyl ethers Epoxides Hydrocarbon derivatives Ketones Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Oxacyclic compounds Oxepanes Secondary carboxylic acid amides Alanine or derivatives Aliphatic heteropolycyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbocyclic fatty acid Carbonyl group Carboxamide group Carboxylic acid Dialkyl ether Ether Fatty acyl Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxepane Oxirane Primary aliphatic amine Primary amine Secondary carboxylic acid amide alicyclic ketone dipeptide epoxide peptide antibiotic logp -2.18 ALOGPS logs -0.71 ALOGPS solubility 5.26e+01 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 3.45 ChemAxon pka_strongest_basic 8.19 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]-3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid ChemAxon average_mass 270.285 ChemAxon mono_mass 270.121571688 ChemAxon smiles C[C@H](N)C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O ChemAxon formula C12H18N2O5 ChemAxon inchi InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6-,7-,9+,10-/m0/s1 ChemAxon inchikey XFOUAXMJRHNTOP-PFQXTLEHSA-N ChemAxon polar_surface_area 118.72 ChemAxon refractivity 63.38 ChemAxon polarizability 26.48 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon