1.0 2020-03-03 19:27:15 UTC 2020-04-22 15:55:37 UTC BMDB0063868 BMDB63868 Glutamylcysteine alpha-Glu-cys alpha-Glutamylcysteine E-C EC L-Glu-L-cys L-Glutamyl-L-cysteine N-(alpha-Glutamyl)cysteine N-(L-alpha-Glutamyl)-L-cysteine a-Glu-cys Α-glu-cys a-Glutamylcysteine Α-glutamylcysteine N-(a-Glutamyl)cysteine N-(Α-glutamyl)cysteine N-(L-a-Glutamyl)-L-cysteine N-(L-Α-glutamyl)-L-cysteine e-C Dipeptide EC dipeptide Glu-cys Glutamate cysteine dipeptide Glutamate-cysteine dipeptide Α-L-glu-L-cys Α-L-glutamyl-L-cysteine L-Α-glutamyl-L-cysteine N-Α-glutamylcysteine N-Α-L-glutamyl-L-cysteine N-L-Α-glutamylcysteine N-L-Α-glutamyl-L-cysteine alpha-L-Glu-L-cys alpha-L-Glutamyl-L-cysteine L-alpha-Glutamyl-L-cysteine N-alpha-Glutamylcysteine N-alpha-L-Glutamyl-L-cysteine N-L-alpha-Glutamylcysteine N-L-alpha-Glutamyl-L-cysteine N-Glutamylcysteine N-L-Glutamyl-L-cysteine Glutamyl-cysteine Glutamic acid cysteine dipeptide Glutamic acid-cysteine dipeptide (4S)-4-Amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]-C-hydroxycarbonimidoyl}butanoate (4S)-4-Amino-4-{[(1R)-1-carboxy-2-sulphanylethyl]-C-hydroxycarbonimidoyl}butanoate (4S)-4-Amino-4-{[(1R)-1-carboxy-2-sulphanylethyl]-C-hydroxycarbonimidoyl}butanoic acid Glutamylcysteine C8H14N2O5S 250.27 250.062342733 (4S)-4-amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid gamma-L-glutamyl-L-cysteine 21566-73-4 N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O InChI=1S/C8H14N2O5S/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 PABVKUJVLNMOJP-WHFBIAKZSA-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 Amino fatty acids Carbonyl compounds Carboxylic acids Cysteine and derivatives Dicarboxylic acids and derivatives Glutamic acid and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides 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 Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Cysteine or derivatives Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Glutamic acid or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organosulfur compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds logp -2.58 ALOGPS logs -1.96 ALOGPS logp -4 ChemAxon pka_strongest_acidic 3.24 ChemAxon pka_strongest_basic 8.44 ChemAxon iupac (4S)-4-amino-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid ChemAxon average_mass 250.27 ChemAxon mono_mass 250.062342733 ChemAxon smiles N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(O)=O ChemAxon formula C8H14N2O5S ChemAxon inchi InChI=1S/C8H14N2O5S/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1 ChemAxon inchikey PABVKUJVLNMOJP-WHFBIAKZSA-N ChemAxon polar_surface_area 129.72 ChemAxon refractivity 56.31 ChemAxon polarizability 23.61 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 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 137627 Specdb::CMs 145361 Specdb::MsMs 1331173 Specdb::MsMs 1331174 Specdb::MsMs 1331175 Specdb::MsMs 1445446 Specdb::MsMs 1445447 Specdb::MsMs 1445448 Specdb::MsMs 3223501 Specdb::MsMs 3223502 Specdb::MsMs 3223503 Specdb::MsMs 3223504 Specdb::MsMs 3223505 Specdb::MsMs 3223506 Specdb::NmrOneD 13822 Specdb::NmrOneD 13823 Specdb::NmrOneD 13824 Specdb::NmrOneD 13825 Specdb::NmrOneD 13826 Specdb::NmrOneD 13827 Specdb::NmrOneD 13828 Specdb::NmrOneD 13829 Specdb::NmrOneD 13830 Specdb::NmrOneD 13831 Specdb::NmrOneD 13832 Specdb::NmrOneD 13833 Specdb::NmrOneD 13834 Specdb::NmrOneD 13835 Specdb::NmrOneD 13836 Specdb::NmrOneD 13837 Specdb::NmrOneD 13838 Specdb::NmrOneD 13839 Specdb::NmrOneD 13840 Specdb::NmrOneD 13841 FDB111861 8346973 10171468 156047 C00056759