1.0 2016-09-30 22:50:13 UTC 2020-04-22 15:09:29 UTC BMDB0002034 BMDB02034 Homolanthionine Homolanthionine sulfone L-Homolanthionine 2-Amino-4-(3-amino-3-carboxypropanesulfonyl)butanoate 2-Amino-4-(3-amino-3-carboxypropanesulphonyl)butanoate 2-Amino-4-(3-amino-3-carboxypropanesulphonyl)butanoic acid C8H16N2O6S 268.287 268.072906944 2-amino-4-(3-amino-3-carboxypropanesulfonyl)butanoic acid homolanthionine 31982-10-2 NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O InChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) CMACTJDDABKNPX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids Amino acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Sulfones Thia fatty acids Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfone Sulfonyl Thia fatty acid Aliphatic acyclic compounds Solid logp -3.98 ALOGPS logs -0.95 ALOGPS logp -7.6 ChemAxon pka_strongest_acidic 1.23 ChemAxon pka_strongest_basic 8.99 ChemAxon iupac 2-amino-4-(3-amino-3-carboxypropanesulfonyl)butanoic acid ChemAxon average_mass 268.287 ChemAxon mono_mass 268.072906944 ChemAxon smiles NC(CCS(=O)(=O)CCC(N)C(O)=O)C(O)=O ChemAxon formula C8H16N2O6S ChemAxon inchi InChI=1S/C8H16N2O6S/c9-5(7(11)12)1-3-17(15,16)4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ChemAxon inchikey CMACTJDDABKNPX-UHFFFAOYSA-N ChemAxon polar_surface_area 160.78 ChemAxon refractivity 57.66 ChemAxon polarizability 25.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23551 Specdb::CMs 38235 Specdb::CMs 164637 Specdb::MsMs 318178 Specdb::MsMs 318179 Specdb::MsMs 318180 Specdb::MsMs 364882 Specdb::MsMs 364883 Specdb::MsMs 364884 Specdb::MsMs 2674483 Specdb::MsMs 2674484 Specdb::MsMs 2674485 Specdb::MsMs 3034349 Specdb::MsMs 3034350 Specdb::MsMs 3034351 Specdb::NmrOneD 103038 Specdb::NmrOneD 103039 Specdb::NmrOneD 103040 Specdb::NmrOneD 103041 Specdb::NmrOneD 103042 Specdb::NmrOneD 103043 Specdb::NmrOneD 103044 Specdb::NmrOneD 103045 Specdb::NmrOneD 103046 Specdb::NmrOneD 103047 Specdb::NmrOneD 103048 Specdb::NmrOneD 103049 Specdb::NmrOneD 103050 Specdb::NmrOneD 103051 Specdb::NmrOneD 103052 Specdb::NmrOneD 103053 Specdb::NmrOneD 103054 Specdb::NmrOneD 103055 Specdb::NmrOneD 103056 Specdb::NmrOneD 103057 FDB022810 166320 191531 6449 Kubota, Koji; Yoshihara, Yasuhiko; Okada, Hiroshi. L-Homolanthionine. Jpn. Kokai Tokkyo Koho (1974), 3 pp.