1.0 2020-03-03 19:22:41 UTC 2020-04-22 15:55:07 UTC BMDB0063789 BMDB63789 Asparaginylarginine Asparagine-arginine dipeptide L-Asn-L-arg N-R NR (2S)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-5-carbamimidamidopentanoate Asn-arg Asparagine arginine dipeptide Asparaginyl-arginine L-Asparaginyl-L-arginine N-R Dipeptide N2-Asparaginylarginine N2-L-Asparaginyl-L-arginine NR Dipeptide C10H20N6O4 288.308 288.154603148 (2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid (2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid 2478-01-5 N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C10H20N6O4/c11-5(4-7(12)17)8(18)16-6(9(19)20)2-1-3-15-10(13)14/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)/t5-,6-/m0/s1 NPDLYUOYAGBHFB-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 Asparagine and derivatives Carbonyl compounds Carboximidamides Carboxylic acids Fatty acids and conjugates Guanidines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Primary carboxylic acid amides 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 Asparagine or derivatives Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acid Fatty acyl Fatty amide Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives 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 Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aliphatic acyclic compounds logp -3.85 ALOGPS logs -2.76 ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 3.48 ChemAxon pka_strongest_basic 12.09 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid ChemAxon average_mass 288.308 ChemAxon mono_mass 288.154603148 ChemAxon smiles N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O ChemAxon formula C10H20N6O4 ChemAxon inchi InChI=1S/C10H20N6O4/c11-5(4-7(12)17)8(18)16-6(9(19)20)2-1-3-15-10(13)14/h5-6H,1-4,11H2,(H2,12,17)(H,16,18)(H,19,20)(H4,13,14,15)/t5-,6-/m0/s1 ChemAxon inchikey NPDLYUOYAGBHFB-WDSKDSINSA-N ChemAxon polar_surface_area 197.41 ChemAxon refractivity 79.08 ChemAxon polarizability 28.56 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 8 ChemAxon donor_count 7 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 164195 Specdb::NmrOneD 154510 Specdb::NmrOneD 154511 Specdb::NmrOneD 154512 Specdb::NmrOneD 154513 Specdb::NmrOneD 154514 Specdb::NmrOneD 154515 Specdb::NmrOneD 154516 Specdb::NmrOneD 154517 Specdb::NmrOneD 154518 Specdb::NmrOneD 154519 Specdb::NmrOneD 154520 Specdb::NmrOneD 154521 Specdb::NmrOneD 154522 Specdb::NmrOneD 154523 Specdb::NmrOneD 154524 Specdb::NmrOneD 154525 Specdb::NmrOneD 154526 Specdb::NmrOneD 154527 Specdb::NmrOneD 154528 Specdb::NmrOneD 154529 Specdb::MsMs 1255387 Specdb::MsMs 1255388 Specdb::MsMs 1255389 Specdb::MsMs 1370575 Specdb::MsMs 1370576 Specdb::MsMs 1370577 Specdb::MsMs 3222976 Specdb::MsMs 3222977 Specdb::MsMs 3222978 Specdb::MsMs 3222979 Specdb::MsMs 3222980 Specdb::MsMs 3222981 FDB111782 67030463 14299174 145751