1.0 2020-03-03 19:43:45 UTC 2020-04-22 15:57:23 UTC BMDB0064150 BMDB64150 Valylvaline H-L-Val-L-val-OH H-Val-val-OH L-Val-L-val V-V L-Valyl-L-valine V-V Dipeptide Val-val Valine valine dipeptide Valine-valine dipeptide VV Dipeptide Di-valine N-L-Valyl-L-valine N-Valylvaline Valyl-valine Valylvaline C10H20N2O3 216.281 216.147392512 (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoic acid (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoic acid 3918-94-3 CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 KRNYOVHEKOBTEF-YUMQZZPRSA-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 Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Valine and derivatives Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-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 Valine or derivatives Aliphatic acyclic compounds dipeptide logp -1.41 ALOGPS logs -0.99 ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 4.01 ChemAxon pka_strongest_basic 8.51 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoic acid ChemAxon average_mass 216.281 ChemAxon mono_mass 216.147392512 ChemAxon smiles CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O ChemAxon formula C10H20N2O3 ChemAxon inchi InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1 ChemAxon inchikey KRNYOVHEKOBTEF-YUMQZZPRSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 55.79 ChemAxon polarizability 23.38 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 2385371 Specdb::MsMs 2385372 Specdb::MsMs 2385373 Specdb::MsMs 2576394 Specdb::MsMs 2576395 Specdb::MsMs 2576396 Specdb::CMs 149023 Specdb::NmrOneD 157010 Specdb::NmrOneD 157011 Specdb::NmrOneD 157012 Specdb::NmrOneD 157013 Specdb::NmrOneD 157014 Specdb::NmrOneD 157015 Specdb::NmrOneD 157016 Specdb::NmrOneD 157017 Specdb::NmrOneD 157018 Specdb::NmrOneD 157019 Specdb::NmrOneD 157020 Specdb::NmrOneD 157021 Specdb::NmrOneD 157022 Specdb::NmrOneD 157023 Specdb::NmrOneD 157024 Specdb::NmrOneD 157025 Specdb::NmrOneD 157026 Specdb::NmrOneD 157027 Specdb::NmrOneD 157028 Specdb::NmrOneD 157029 FDB112141 96710 107475 73704