1.0 2020-03-03 19:21:24 UTC 2020-04-22 15:54:59 UTC BMDB0063766 BMDB63766 Arginylalanine L-Arg-L-ala RA Arg-ala Arginine alanine dipeptide Arginine-alanine dipeptide Arginyl-alanine H-Arg-ala-OH L-Arginyl-L-alanine N-Arginylalanine N-L-Arginyl-L-alanine R-a Dipeptide RA dipeptide Arginylalanine C9H19N5O3 245.283 245.148789492 (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanoic acid (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanoic acid 40968-45-4 C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O InChI=1S/C9H19N5O3/c1-5(8(16)17)14-7(15)6(10)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1 WVRUNFYJIHNFKD-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 Alanine and derivatives Alpha amino acid amides Amino acids Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Alanine or derivatives Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboximidamide Carboxylic 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 Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aliphatic acyclic compounds dipeptide logp -3.57 ALOGPS logs -2.50 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 3.66 ChemAxon pka_strongest_basic 12.08 ChemAxon iupac (2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanoic acid ChemAxon average_mass 245.283 ChemAxon mono_mass 245.148789492 ChemAxon smiles C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O ChemAxon formula C9H19N5O3 ChemAxon inchi InChI=1S/C9H19N5O3/c1-5(8(16)17)14-7(15)6(10)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1 ChemAxon inchikey WVRUNFYJIHNFKD-WDSKDSINSA-N ChemAxon polar_surface_area 154.32 ChemAxon refractivity 71.22 ChemAxon polarizability 25.16 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 6 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 160304 Specdb::MsMs 1285390 Specdb::MsMs 1285391 Specdb::MsMs 1285392 Specdb::MsMs 1400200 Specdb::MsMs 1400201 Specdb::MsMs 1400202 Specdb::MsMs 3222847 Specdb::MsMs 3222848 Specdb::MsMs 3222849 Specdb::MsMs 3222850 Specdb::MsMs 3222851 Specdb::MsMs 3222852 Specdb::NmrOneD 13302 Specdb::NmrOneD 13303 Specdb::NmrOneD 13304 Specdb::NmrOneD 13305 Specdb::NmrOneD 13306 Specdb::NmrOneD 13307 Specdb::NmrOneD 13308 Specdb::NmrOneD 13309 Specdb::NmrOneD 13310 Specdb::NmrOneD 13311 Specdb::NmrOneD 13312 Specdb::NmrOneD 13313 Specdb::NmrOneD 13314 Specdb::NmrOneD 13315 Specdb::NmrOneD 13316 Specdb::NmrOneD 13317 Specdb::NmrOneD 13318 Specdb::NmrOneD 13319 Specdb::NmrOneD 13320 Specdb::NmrOneD 13321 FDB111759 5383289 7020333 73810