1.0 2016-09-30 23:08:05 UTC 2020-04-22 15:13:22 UTC BMDB0004135 BMDB04135 Poly-g-D-glutamate Poly-g-D-glutamic acid PGA Poly-gamma-D-glutamate Poly-gamma-D-glutamic acid Poly-gamma-delta-glutamate Poly-gamma-delta-glutamic acid Poly-gamma-glutamate Poly-gamma-glutamic acid (2R)-2-{[(4R)-4-{[(4R)-4-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-5-oxopentanoate Poly-g-D-glutamate Poly-γ-D-glutamate Poly-γ-D-glutamic acid C20H30N4O12 518.4718 518.186022444 (2R)-2-[(4R)-4-[(4R)-4-[(4R)-4-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-oxopentanoic acid (2R)-2-[(4R)-4-[(4R)-4-[(4R)-4-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-oxopentanoic acid N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O InChI=1S/C20H30N4O12/c21-10(17(29)30)3-6-14(26)23-12(19(33)34)5-8-16(28)24-13(20(35)36)4-7-15(27)22-11(18(31)32)2-1-9-25/h9-13H,1-8,21H2,(H,22,27)(H,23,26)(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t10-,11-,12-,13-/m1/s1 LJVWRHJDEMCHNS-FDYHWXHSSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides Alpha-hydrogen aldehydes Amino acids Carboxylic acids D-alpha-amino acids Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tetracarboxylic acids and derivatives Aldehyde Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-hydrogen aldehyde Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid D-alpha-amino acid Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative 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 Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tetracarboxylic acid or derivatives Aliphatic acyclic compounds Solid logp -5.016 logp -2.56 ALOGPS logs -2.71 ALOGPS logp -6.2 ChemAxon pka_strongest_acidic 1.91 ChemAxon pka_strongest_basic 9.31 ChemAxon iupac (2R)-2-[(4R)-4-[(4R)-4-[(4R)-4-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-oxopentanoic acid ChemAxon average_mass 518.4718 ChemAxon mono_mass 518.186022444 ChemAxon smiles N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C20H30N4O12 ChemAxon inchi InChI=1S/C20H30N4O12/c21-10(17(29)30)3-6-14(26)23-12(19(33)34)5-8-16(28)24-13(20(35)36)4-7-15(27)22-11(18(31)32)2-1-9-25/h9-13H,1-8,21H2,(H,22,27)(H,23,26)(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t10-,11-,12-,13-/m1/s1 ChemAxon inchikey LJVWRHJDEMCHNS-FDYHWXHSSA-N ChemAxon polar_surface_area 279.59 ChemAxon refractivity 114.63 ChemAxon polarizability 48.89 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10846 Specdb::CMs 38720 Specdb::MsMs 289885 Specdb::MsMs 289886 Specdb::MsMs 289887 Specdb::MsMs 329443 Specdb::MsMs 329444 Specdb::MsMs 329445 Specdb::MsMs 2787943 Specdb::MsMs 2787944 Specdb::MsMs 2787945 Specdb::MsMs 2918039 Specdb::MsMs 2918040 Specdb::MsMs 2918041 Specdb::NmrOneD 149820 Specdb::NmrOneD 149821 Specdb::NmrOneD 149822 Specdb::NmrOneD 149823 Specdb::NmrOneD 149824 Specdb::NmrOneD 149825 Specdb::NmrOneD 149826 Specdb::NmrOneD 149827 Specdb::NmrOneD 149828 Specdb::NmrOneD 149829 Specdb::NmrOneD 149830 Specdb::NmrOneD 149831 Specdb::NmrOneD 149832 Specdb::NmrOneD 149833 Specdb::NmrOneD 149834 Specdb::NmrOneD 149835 Specdb::NmrOneD 149836 Specdb::NmrOneD 149837 Specdb::NmrOneD 149838 Specdb::NmrOneD 149839 30776562 FDB023317 C05723 53477778 169453