1.0 2020-03-03 19:43:04 UTC 2020-04-22 15:57:19 UTC BMDB0064139 BMDB64139 Valylhistidine L-Val-L-his V-H VH L-Valyl-L-histidine N-L-Valyl-L-histidine N-Valylhistidine V-H Dipeptide VH Dipeptide Val-his Valine histidine dipeptide Valine-histidine dipeptide Valyl-histidine Valylhistidine C11H18N4O3 254.29 254.137890456 (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanoic acid (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(3H-imidazol-4-yl)propanoic acid 13589-07-6 CC(C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O InChI=1S/C11H18N4O3/c1-6(2)9(12)10(16)15-8(11(17)18)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1 BNQVUHQWZGTIBX-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 Azacyclic compounds Carbonyl compounds Carboxylic acid salts 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 Organic salts Organic zwitterions Organopnictogen compounds Secondary carboxylic acid amides Valine and derivatives Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt 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 Organic salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Valine or derivatives Aromatic heteromonocyclic compounds dipeptide logp -2.47 ALOGPS logs -1.61 ALOGPS logp -3.2 ChemAxon pka_strongest_acidic 3.53 ChemAxon pka_strongest_basic 8.52 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanoic acid ChemAxon average_mass 254.29 ChemAxon mono_mass 254.137890456 ChemAxon smiles CC(C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(O)=O ChemAxon formula C11H18N4O3 ChemAxon inchi InChI=1S/C11H18N4O3/c1-6(2)9(12)10(16)15-8(11(17)18)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1 ChemAxon inchikey BNQVUHQWZGTIBX-IUCAKERBSA-N ChemAxon polar_surface_area 121.1 ChemAxon refractivity 64.35 ChemAxon polarizability 25.34 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 4 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 137954 Specdb::CMs 145688 Specdb::MsMs 2697072 Specdb::MsMs 2697073 Specdb::MsMs 2697074 Specdb::MsMs 2981606 Specdb::MsMs 2981607 Specdb::MsMs 2981608 Specdb::NmrOneD 156950 Specdb::NmrOneD 156951 Specdb::NmrOneD 156952 Specdb::NmrOneD 156953 Specdb::NmrOneD 156954 Specdb::NmrOneD 156955 Specdb::NmrOneD 156956 Specdb::NmrOneD 156957 Specdb::NmrOneD 156958 Specdb::NmrOneD 156959 Specdb::NmrOneD 156960 Specdb::NmrOneD 156961 Specdb::NmrOneD 156962 Specdb::NmrOneD 156963 Specdb::NmrOneD 156964 Specdb::NmrOneD 156965 Specdb::NmrOneD 156966 Specdb::NmrOneD 156967 Specdb::NmrOneD 156968 Specdb::NmrOneD 156969 FDB112131 5731283 7408624 73700