1.0 2020-03-03 19:30:00 UTC 2020-04-22 15:55:55 UTC BMDB0063916 BMDB63916 Histidylarginine H-R Dipeptide HR Dipeptide His-arg Histidine arginine dipeptide Histidine-arginine dipeptide Histidinyl-arginine Histidinylarginine Histidyl-arginine L-His-L-arg L-Histidinyl-L-arginine L-Histidyl-L-arginine N2-Histidinylarginine N2-Histidylarginine N2-L-Histidinyl-L-arginine N2-L-Histidyl-L-arginine Histidylarginine C12H21N7O3 311.346 311.170587564 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanoic acid (2S)-2-[(2S)-2-amino-3-(3H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanoic acid 77369-21-2 N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8-,9-/m0/s1 NIKBMHGRNAPJFW-IUCAKERBSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Alpha amino acid amides Amino acids Aralkylamines Azacyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Fatty amides Guanidines Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Propargyl-type 1,3-dipolar organic compounds Secondary carboxylic acid amides Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboximidamide Carboxylic acid Fatty acyl Fatty amide Guanidine Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary carboxylic acid amide Aromatic heteromonocyclic compounds logp -3.52 ALOGPS logs -3.17 ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 3.4 ChemAxon pka_strongest_basic 12.03 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanamido]-5-carbamimidamidopentanoic acid ChemAxon average_mass 311.346 ChemAxon mono_mass 311.170587564 ChemAxon smiles N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O ChemAxon formula C12H21N7O3 ChemAxon inchi InChI=1S/C12H21N7O3/c13-8(4-7-5-16-6-18-7)10(20)19-9(11(21)22)2-1-3-17-12(14)15/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8-,9-/m0/s1 ChemAxon inchikey NIKBMHGRNAPJFW-IUCAKERBSA-N ChemAxon polar_surface_area 183 ChemAxon refractivity 88.78 ChemAxon polarizability 31.77 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 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 3052565 Specdb::MsMs 3052566 Specdb::MsMs 3052567 Specdb::MsMs 3114035 Specdb::MsMs 3114036 Specdb::MsMs 3114037 Specdb::CMs 133717 Specdb::CMs 141451 Specdb::NmrOneD 14002 Specdb::NmrOneD 14003 Specdb::NmrOneD 14004 Specdb::NmrOneD 14005 Specdb::NmrOneD 14006 Specdb::NmrOneD 14007 Specdb::NmrOneD 14008 Specdb::NmrOneD 14009 Specdb::NmrOneD 14010 Specdb::NmrOneD 14011 Specdb::NmrOneD 14012 Specdb::NmrOneD 14013 Specdb::NmrOneD 14014 Specdb::NmrOneD 14015 Specdb::NmrOneD 14016 Specdb::NmrOneD 14017 Specdb::NmrOneD 14018 Specdb::NmrOneD 14019 Specdb::NmrOneD 14020 Specdb::NmrOneD 14021 FDB111908 5731232 7408563 157853