1.0 2016-09-30 22:34:46 UTC 2020-04-22 15:04:45 UTC BMDB0000676 BMDB00676 L-Homocystine 4,4'-Dithiobis(2-aminobutyric acid) 4,4'-Dithiobis-2-amino-L-butyrate 4,4'-Dithiobis-2-amino-L-butyric acid [S-(R*,r*)]-4,4'-dithiobis-2-amino-butanoate [S-(R*,r*)]-4,4'-dithiobis-2-amino-butanoic acid 2-Amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoate 2-Amino-4-{[(3S)-3-amino-3-carboxypropyl]disulphanyl}butanoate 2-Amino-4-{[(3S)-3-amino-3-carboxypropyl]disulphanyl}butanoic acid C8H16N2O4S2 268.354 268.05514839 2-amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acid 2-amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acid 626-72-2 NC(CCSSCC[C@H](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)/t5-,6?/m0/s1 ZTVZLYBCZNMWCF-ZBHICJROSA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-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 Amine Amino acid Carbonyl group Carboxylic acid Dialkyldisulfide Dicarboxylic acid or derivatives Fatty acid Fatty acyl Hydrocarbon derivative L-alpha-amino acid 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 Solid melting_point 300 °C water_solubility 0.2 mg/mL at 25 °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-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acid ChemAxon average_mass 268.354 ChemAxon mono_mass 268.05514839 ChemAxon smiles NC(CCSSCC[C@H](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)/t5-,6?/m0/s1 ChemAxon inchikey ZTVZLYBCZNMWCF-ZBHICJROSA-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::NmrTwoD 1418 Specdb::NmrOneD 1473 Specdb::NmrOneD 7342 Specdb::NmrOneD 7343 Specdb::NmrOneD 7344 Specdb::NmrOneD 7345 Specdb::NmrOneD 7346 Specdb::NmrOneD 7347 Specdb::NmrOneD 7348 Specdb::NmrOneD 7349 Specdb::NmrOneD 7350 Specdb::NmrOneD 7351 Specdb::NmrOneD 7352 Specdb::NmrOneD 7353 Specdb::NmrOneD 7354 Specdb::NmrOneD 7355 Specdb::NmrOneD 7356 Specdb::NmrOneD 7357 Specdb::NmrOneD 7358 Specdb::NmrOneD 7359 Specdb::NmrOneD 7360 Specdb::NmrOneD 7361 Specdb::NmrOneD 166619 Specdb::MsMs 936 Specdb::MsMs 937 Specdb::MsMs 938 Specdb::MsMs 300676 Specdb::MsMs 300677 Specdb::MsMs 300678 Specdb::MsMs 343000 Specdb::MsMs 343001 Specdb::MsMs 343002 Specdb::MsMs 2836749 Specdb::MsMs 2836750 Specdb::MsMs 2836751 Specdb::MsMs 2872817 Specdb::MsMs 2872818 Specdb::MsMs 2872819 Specdb::CMs 15651 Specdb::CMs 32144 Specdb::CMs 32145 Specdb::CMs 37691 Specdb::CMs 99590 Specdb::CMs 99591 Specdb::CMs 157558 Specdb::CMs 1072357 Specdb::CMs 1072359 Specdb::CMs 1072360 Specdb::CMs 1072362 Specdb::CMs 1072364 Specdb::CMs 1072366 Specdb::CMs 1072368 Specdb::CMs 1072370 Specdb::CMs 1072371 Specdb::CMs 1072373 Specdb::CMs 1072375 Specdb::CMs 1072377 Specdb::CMs 1072379 Specdb::CMs 1072380 Specdb::CMs 1072382 Specdb::CMs 1072384 Specdb::CMs 1072386 Specdb::CMs 1072387 FDB022176 62590 C01817 69382 89698 Homocystine