1.0 2020-04-03 17:08:23 UTC 2020-04-03 17:08:25 UTC FDB098401 Val-Phe-Val-Tyr C28H38N4O6 526.634 526.27913496 2-{[2-({2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid 2-{[2-({2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid CC(C)C(N)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(C(C)C)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C28H38N4O6/c1-16(2)23(29)26(35)30-21(14-18-8-6-5-7-9-18)25(34)32-24(17(3)4)27(36)31-22(28(37)38)15-19-10-12-20(33)13-11-19/h5-13,16-17,21-24,33H,14-15,29H2,1-4H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38) HRJFPLCYTCOZOV-UHFFFAOYSA-N belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids Organic oxides Phenylalanine and derivatives Phenylpropanoic acids Secondary carboxylic acid amides Tyrosine and derivatives Valine and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tyrosine or derivatives Valine or derivatives logp 0.40 ALOGPS logs -4.80 ALOGPS solubility 8.38e-03 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_acidic 3.16 ChemAxon pka_strongest_basic 9.9 ChemAxon iupac 2-{[2-({2-[(2-amino-1-hydroxy-3-methylbutylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoic acid ChemAxon average_mass 526.634 ChemAxon mono_mass 526.27913496 ChemAxon smiles CC(C)C(N)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(C(C)C)C(O)=NC(CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C28H38N4O6 ChemAxon inchi InChI=1S/C28H38N4O6/c1-16(2)23(29)26(35)30-21(14-18-8-6-5-7-9-18)25(34)32-24(17(3)4)27(36)31-22(28(37)38)15-19-10-12-20(33)13-11-19/h5-13,16-17,21-24,33H,14-15,29H2,1-4H3,(H,30,35)(H,31,36)(H,32,34)(H,37,38) ChemAxon inchikey HRJFPLCYTCOZOV-UHFFFAOYSA-N ChemAxon polar_surface_area 181.32 ChemAxon refractivity 143.16 ChemAxon polarizability 56.36 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1314073 Specdb::MsMs 1314074 Specdb::MsMs 1314075 Specdb::MsMs 1428559 Specdb::MsMs 1428560 Specdb::MsMs 1428561 Specdb::MsMs 3218224 Specdb::MsMs 3218225 Specdb::MsMs 3218226 Specdb::MsMs 3610753 Specdb::MsMs 3610754 Specdb::MsMs 3610755 Milk (Cow) Type 2 specific