1.0 2020-03-03 19:30:07 UTC 2020-04-22 15:55:56 UTC BMDB0063918 BMDB63918 Histidylaspartic acid HD Histidinyl-aspartate Histidylaspartate L-His-L-asp Histidinyl-aspartic acid H-D Dipeptide HD Dipeptide His-asp Histidine aspartate dipeptide Histidine aspartic acid dipeptide Histidine-aspartate dipeptide Histidine-aspartic acid dipeptide Histidinylaspartate Histidinylaspartic acid Histidyl-aspartate Histidyl-aspartic acid L-Histidinyl-L-aspartate L-Histidinyl-L-aspartic acid L-Histidyl-L-aspartate L-Histidyl-L-aspartic acid N-Histidinylaspartate N-Histidinylaspartic acid N-Histidylaspartate N-Histidylaspartic acid N-L-Histidinyl-L-aspartate N-L-Histidinyl-L-aspartic acid N-L-Histidyl-L-aspartate N-L-Histidyl-L-aspartic acid Histidylaspartic acid C10H14N4O5 270.245 270.096419567 (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]butanedioic acid (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]butanedioic acid 41658-60-0 N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7-/m0/s1 MDCTVRUPVLZSPG-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Acyl L-homoserines Alpha amino acid amides Amino acids Aralkylamines Aspartic acid and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Monoalkylamines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Acyl-homoserine Acyl-l-homoserine Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Aspartic acid or derivatives Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acyl Fatty amide Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid 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 Secondary carboxylic acid amide Aromatic heteromonocyclic compounds dipeptide logp -3.10 ALOGPS logs -1.66 ALOGPS logp -5.6 ChemAxon pka_strongest_acidic 3.12 ChemAxon pka_strongest_basic 7.84 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]butanedioic acid ChemAxon average_mass 270.245 ChemAxon mono_mass 270.096419567 ChemAxon smiles N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon formula C10H14N4O5 ChemAxon inchi InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7-/m0/s1 ChemAxon inchikey MDCTVRUPVLZSPG-BQBZGAKWSA-N ChemAxon polar_surface_area 158.4 ChemAxon refractivity 60.83 ChemAxon polarizability 25.11 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 5 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::CMs 159536 Specdb::MsMs 3051218 Specdb::MsMs 3051219 Specdb::MsMs 3051220 Specdb::MsMs 3119200 Specdb::MsMs 3119201 Specdb::MsMs 3119202 Specdb::NmrOneD 105958 Specdb::NmrOneD 105959 Specdb::NmrOneD 105960 Specdb::NmrOneD 105961 Specdb::NmrOneD 105962 Specdb::NmrOneD 105963 Specdb::NmrOneD 105964 Specdb::NmrOneD 105965 Specdb::NmrOneD 105966 Specdb::NmrOneD 105967 Specdb::NmrOneD 105968 Specdb::NmrOneD 105969 Specdb::NmrOneD 105970 Specdb::NmrOneD 105971 Specdb::NmrOneD 105972 Specdb::NmrOneD 105973 Specdb::NmrOneD 105974 Specdb::NmrOneD 105975 Specdb::NmrOneD 105976 Specdb::NmrOneD 105977 FDB111910 5383051 7020094 73925