1.0 2020-03-03 19:21:32 UTC 2020-04-22 15:55:00 UTC BMDB0063769 BMDB63769 Arginylaspartic acid L-Arg-L-asp RD Arginylaspartate Arg-asp Arginine aspartate dipeptide Arginine aspartic acid dipeptide Arginine-aspartate dipeptide Arginine-aspartic acid dipeptide Arginyl-aspartate Arginyl-aspartic acid L-Arginyl-L-aspartate L-Arginyl-L-aspartic acid N-Arginylaspartate N-Arginylaspartic acid N-L-Arginyl-L-aspartate N-L-Arginyl-L-aspartic acid R-D Dipeptide RD Dipeptide Arginylaspartic acid C10H19N5O5 289.292 289.138618732 (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid 15706-88-4 N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1 SIFXMYAHXJGAFC-WDSKDSINSA-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 Alpha amino acid amides Amino acids Aspartic acid and derivatives Carbonyl compounds Carboximidamides Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Guanidines Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aspartic acid or derivatives Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Carboxylic acid salt Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Guanidine Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aliphatic acyclic compounds dipeptide logp -3.74 ALOGPS logs -2.71 ALOGPS logp -6.5 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic 12.04 ChemAxon iupac (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid ChemAxon average_mass 289.292 ChemAxon mono_mass 289.138618732 ChemAxon smiles N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon formula C10H19N5O5 ChemAxon inchi InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1 ChemAxon inchikey SIFXMYAHXJGAFC-WDSKDSINSA-N ChemAxon polar_surface_area 191.62 ChemAxon refractivity 77.26 ChemAxon polarizability 28.16 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 7 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 166576 Specdb::MsMs 1297078 Specdb::MsMs 1297079 Specdb::MsMs 1297080 Specdb::MsMs 1411708 Specdb::MsMs 1411709 Specdb::MsMs 1411710 Specdb::MsMs 3222865 Specdb::MsMs 3222866 Specdb::MsMs 3222867 Specdb::MsMs 3223831 Specdb::MsMs 3223832 Specdb::MsMs 3223833 Specdb::NmrOneD 104758 Specdb::NmrOneD 104759 Specdb::NmrOneD 104760 Specdb::NmrOneD 104761 Specdb::NmrOneD 104762 Specdb::NmrOneD 104763 Specdb::NmrOneD 104764 Specdb::NmrOneD 104765 Specdb::NmrOneD 104766 Specdb::NmrOneD 104767 Specdb::NmrOneD 104768 Specdb::NmrOneD 104769 Specdb::NmrOneD 104770 Specdb::NmrOneD 104771 Specdb::NmrOneD 104772 Specdb::NmrOneD 104773 Specdb::NmrOneD 104774 Specdb::NmrOneD 104775 Specdb::NmrOneD 104776 Specdb::NmrOneD 104777 FDB111762 5373191 7009611 73812