1.0 2020-04-06 11:26:47 UTC 2020-04-06 23:43:21 UTC FDB111790 Asparaginylhistidine C10H15N5O4 269.261 269.112403983 (2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid (2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O InChI=1S/C10H15N5O4/c11-6(2-8(12)16)9(17)15-7(10(18)19)1-5-3-13-4-14-5/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)/t6-,7-/m0/s1 FFMIYIMKQIMDPK-BQBZGAKWSA-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. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Alpha amino acid amides Amino acids Asparagine and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Primary carboxylic acid amides Secondary carboxylic acid amides Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Asparagine or derivatives Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide 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-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Primary carboxylic acid amide Secondary carboxylic acid amide dipeptide logp -3.12 ALOGPS logs -1.51 ALOGPS solubility 8.40e+00 g/l ALOGPS logp -5.1 ChemAxon pka_strongest_acidic 3.25 ChemAxon pka_strongest_basic 7.41 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid ChemAxon average_mass 269.261 ChemAxon mono_mass 269.112403983 ChemAxon smiles N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O ChemAxon formula C10H15N5O4 ChemAxon inchi InChI=1S/C10H15N5O4/c11-6(2-8(12)16)9(17)15-7(10(18)19)1-5-3-13-4-14-5/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)/t6-,7-/m0/s1 ChemAxon inchikey FFMIYIMKQIMDPK-BQBZGAKWSA-N ChemAxon polar_surface_area 164.19 ChemAxon refractivity 62.65 ChemAxon polarizability 25.61 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 149419 Specdb::NmrOneD 154570 Specdb::NmrOneD 154571 Specdb::NmrOneD 154572 Specdb::NmrOneD 154573 Specdb::NmrOneD 154574 Specdb::NmrOneD 154575 Specdb::NmrOneD 154576 Specdb::NmrOneD 154577 Specdb::NmrOneD 154578 Specdb::NmrOneD 154579 Specdb::NmrOneD 154580 Specdb::NmrOneD 154581 Specdb::NmrOneD 154582 Specdb::NmrOneD 154583 Specdb::NmrOneD 154584 Specdb::NmrOneD 154585 Specdb::NmrOneD 154586 Specdb::NmrOneD 154587 Specdb::NmrOneD 154588 Specdb::NmrOneD 154589 Specdb::MsMs 1314721 Specdb::MsMs 1314722 Specdb::MsMs 1314723 Specdb::MsMs 1429204 Specdb::MsMs 1429205 Specdb::MsMs 1429206 Specdb::MsMs 3223021 Specdb::MsMs 3223022 Specdb::MsMs 3223023 Specdb::MsMs 3223024 Specdb::MsMs 3223025 Specdb::MsMs 3223026 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823