1.0 2016-09-30 22:33:03 UTC 2020-04-22 15:04:15 UTC BMDB0000575 BMDB00575 DL-Homocystine 4,4'-Dithiobis(2-aminobutyric acid) Homocystine 4,4'-Dithiobis(2-aminobutyrate) 4,4'-Dithiobis C8H16N2O4S2 268.354 268.05514839 2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid homocystine 462-10-2 NC(CCSSCCC(N)C(O)=O)C(O)=O InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ZTVZLYBCZNMWCF-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 Dialkyldisulfides Dicarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Sulfenyl compounds Thia fatty acids Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Dialkyldisulfide Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative Organic disulfide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfenyl compound Thia fatty acid Aliphatic acyclic compounds homocystines Solid melting_point 263 - 265 °C logp -4.15 ALOGPS logs -1.78 ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 1.8 ChemAxon pka_strongest_basic 9.8 ChemAxon iupac 2-amino-4-[(3-amino-3-carboxypropyl)disulfanyl]butanoic acid ChemAxon average_mass 268.354 ChemAxon mono_mass 268.05514839 ChemAxon smiles NC(CCSSCCC(N)C(O)=O)C(O)=O ChemAxon formula C8H16N2O4S2 ChemAxon inchi InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14) ChemAxon inchikey ZTVZLYBCZNMWCF-UHFFFAOYSA-N ChemAxon polar_surface_area 126.64 ChemAxon refractivity 64.38 ChemAxon polarizability 26.92 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 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::MsMs 803 Specdb::MsMs 804 Specdb::MsMs 805 Specdb::MsMs 4218 Specdb::MsMs 4219 Specdb::MsMs 4220 Specdb::MsMs 4221 Specdb::MsMs 4222 Specdb::MsMs 312844 Specdb::MsMs 312845 Specdb::MsMs 312846 Specdb::MsMs 358195 Specdb::MsMs 358196 Specdb::MsMs 358197 Specdb::MsMs 437850 Specdb::MsMs 437851 Specdb::MsMs 437852 Specdb::MsMs 437853 Specdb::MsMs 437854 Specdb::MsMs 440078 Specdb::MsMs 2236222 Specdb::MsMs 2237175 Specdb::MsMs 2238287 Specdb::MsMs 2239275 Specdb::MsMs 2240436 Specdb::NmrOneD 1427 Specdb::NmrOneD 144470 Specdb::NmrOneD 144471 Specdb::NmrOneD 144472 Specdb::NmrOneD 144473 Specdb::NmrOneD 144474 Specdb::NmrOneD 144475 Specdb::NmrOneD 144476 Specdb::NmrOneD 144477 Specdb::NmrOneD 144478 Specdb::NmrOneD 144479 Specdb::NmrOneD 144480 Specdb::NmrOneD 144481 Specdb::NmrOneD 144482 Specdb::NmrOneD 144483 Specdb::NmrOneD 144484 Specdb::NmrOneD 144485 Specdb::NmrOneD 144486 Specdb::NmrOneD 144487 Specdb::NmrOneD 144488 Specdb::NmrOneD 144489 Specdb::NmrTwoD 1372 Specdb::CMs 577 Specdb::CMs 21048 Specdb::CMs 30523 Specdb::CMs 37633 Specdb::CMs 163068 Specdb::CMs 1066894 Specdb::CMs 1066896 Specdb::CMs 1066897 Specdb::CMs 1066899 Specdb::CMs 1066901 Specdb::CMs 1066903 Specdb::CMs 1066905 Specdb::CMs 1066907 Specdb::CMs 1066908 Specdb::CMs 1066910 Specdb::CMs 1066912 Specdb::CMs 1066914 Specdb::CMs 1066916 C01817 FDB022123 9616 10010 17485 5557 Lang, K.; Keller, C. Effect of the cyclophorase system on sulfur-containing amino acids. Biochemische Zeitschrift (1955), 327 202-8.