1.0 2020-03-03 19:32:36 UTC 2020-04-22 15:56:12 UTC BMDB0063961 BMDB63961 Leucyl-Cysteine L-C Dipeptide L-Leucyl-L-cysteine LC Dipeptide Leu-cys Leucine cysteine dipeptide Leucine-cysteine dipeptide Leucylcysteine 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-3-sulfanylpropanoate 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-3-sulphanylpropanoate 2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-3-sulphanylpropanoic acid C9H18N2O3S 234.316 234.103813142 2-(2-amino-4-methylpentanamido)-3-sulfanylpropanoic acid 2-(2-amino-4-methylpentanamido)-3-sulfanylpropanoic acid CC(C)CC(N)C(=O)NC(CS)C(O)=O InChI=1S/C9H18N2O3S/c1-5(2)3-6(10)8(12)11-7(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14) HIZYETOZLYFUFF-UHFFFAOYSA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Alkylthiols Alpha amino acid amides Amino acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Hydrocarbon derivatives Leucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alkylthiol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds logp -1.52 ALOGPS logs -1.97 ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 3.87 ChemAxon pka_strongest_basic 8.42 ChemAxon iupac 2-(2-amino-4-methylpentanamido)-3-sulfanylpropanoic acid ChemAxon average_mass 234.316 ChemAxon mono_mass 234.103813142 ChemAxon smiles CC(C)CC(N)C(=O)NC(CS)C(O)=O ChemAxon formula C9H18N2O3S ChemAxon inchi InChI=1S/C9H18N2O3S/c1-5(2)3-6(10)8(12)11-7(4-15)9(13)14/h5-7,15H,3-4,10H2,1-2H3,(H,11,12)(H,13,14) ChemAxon inchikey HIZYETOZLYFUFF-UHFFFAOYSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 59.19 ChemAxon polarizability 24.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 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 26209 Specdb::CMs 40977 Specdb::CMs 133475 Specdb::CMs 141209 Specdb::MsMs 324079 Specdb::MsMs 324080 Specdb::MsMs 324081 Specdb::MsMs 372403 Specdb::MsMs 372404 Specdb::MsMs 372405 Specdb::MsMs 2846936 Specdb::MsMs 2846937 Specdb::MsMs 2846938 Specdb::MsMs 2862891 Specdb::MsMs 2862892 Specdb::MsMs 2862893 Specdb::NmrOneD 106258 Specdb::NmrOneD 106259 Specdb::NmrOneD 106260 Specdb::NmrOneD 106261 Specdb::NmrOneD 106262 Specdb::NmrOneD 106263 Specdb::NmrOneD 106264 Specdb::NmrOneD 106265 Specdb::NmrOneD 106266 Specdb::NmrOneD 106267 Specdb::NmrOneD 106268 Specdb::NmrOneD 106269 Specdb::NmrOneD 106270 Specdb::NmrOneD 106271 Specdb::NmrOneD 106272 Specdb::NmrOneD 106273 Specdb::NmrOneD 106274 Specdb::NmrOneD 106275 Specdb::NmrOneD 106276 Specdb::NmrOneD 106277 FDB111953 16568331 18218221