1.0 2020-03-03 19:33:28 UTC 2020-04-22 15:56:18 UTC BMDB0063976 BMDB63976 Lysylarginine KR L-Lys-L-arg Lysyl-arginine K-R Dipeptide KR Dipeptide L-Lysyl-L-arginine Lys-arg Lysine arginine dipeptide Lysine-arginine dipeptide N2-L-Lysyl-L-arginine N2-Lysylarginine Lysylarginine C12H26N6O3 302.379 302.206638721 (2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoic acid (2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoic acid 29586-66-1 NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 NPBGTPKLVJEOBE-IUCAKERBSA-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 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 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 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 Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aliphatic acyclic compounds dipeptide logp -3.67 ALOGPS logs -2.93 ALOGPS logp -3.9 ChemAxon pka_strongest_acidic 3.7 ChemAxon pka_strongest_basic 12.1 ChemAxon iupac (2S)-5-carbamimidamido-2-[(2S)-2,6-diaminohexanamido]pentanoic acid ChemAxon average_mass 302.379 ChemAxon mono_mass 302.206638721 ChemAxon smiles NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O ChemAxon formula C12H26N6O3 ChemAxon inchi InChI=1S/C12H26N6O3/c13-6-2-1-4-8(14)10(19)18-9(11(20)21)5-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1 ChemAxon inchikey NPBGTPKLVJEOBE-IUCAKERBSA-N ChemAxon polar_surface_area 180.34 ChemAxon refractivity 88.53 ChemAxon polarizability 32.43 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 2 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::MsMs 2347172 Specdb::MsMs 2347173 Specdb::MsMs 2347174 Specdb::MsMs 2591869 Specdb::MsMs 2591870 Specdb::MsMs 2591871 Specdb::CMs 155741 Specdb::NmrOneD 106478 Specdb::NmrOneD 106479 Specdb::NmrOneD 106480 Specdb::NmrOneD 106481 Specdb::NmrOneD 106482 Specdb::NmrOneD 106483 Specdb::NmrOneD 106484 Specdb::NmrOneD 106485 Specdb::NmrOneD 106486 Specdb::NmrOneD 106487 Specdb::NmrOneD 106488 Specdb::NmrOneD 106489 Specdb::NmrOneD 106490 Specdb::NmrOneD 106491 Specdb::NmrOneD 106492 Specdb::NmrOneD 106493 Specdb::NmrOneD 106494 Specdb::NmrOneD 106495 Specdb::NmrOneD 106496 Specdb::NmrOneD 106497 FDB111968 23271628 15061422 74553