1.0 2010-04-08 22:15:39 UTC 2025-11-19 02:37:04 UTC FDB021365 Kapporphin Derived from the kappa-chain of immunoglobulin C25H31N5O8 529.55 529.217262978 2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido}-3-phenylpropanamido)acetamido]acetic acid [2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido}-3-phenylpropanamido)acetamido]acetic acid 112771-37-6 NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NCC(O)=O InChI=1S/C25H31N5O8/c26-18(10-16-6-8-17(32)9-7-16)23(36)30-20(14-31)25(38)29-19(11-15-4-2-1-3-5-15)24(37)28-12-21(33)27-13-22(34)35/h1-9,18-20,31-32H,10-14,26H2,(H,27,33)(H,28,37)(H,29,38)(H,30,36)(H,34,35) KBVXTGMSVOGSFI-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 Aralkylamines Carbonyl compounds Carboxylic acids Fatty amides Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Primary alcohols Secondary carboxylic acid amides Serine and derivatives Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alcohol Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine 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-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary alcohol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Serine or derivatives Tyrosine or derivatives logp -0.80 ALOGPS logs -3.58 ALOGPS solubility 1.41e-01 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 3.35 ChemAxon pka_strongest_basic 7.73 ChemAxon iupac 2-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido}-3-phenylpropanamido)acetamido]acetic acid ChemAxon average_mass 529.55 ChemAxon mono_mass 529.217262978 ChemAxon smiles NC(CC1=CC=C(O)C=C1)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NCC(O)=O ChemAxon formula C25H31N5O8 ChemAxon inchi InChI=1S/C25H31N5O8/c26-18(10-16-6-8-17(32)9-7-16)23(36)30-20(14-31)25(38)29-19(11-15-4-2-1-3-5-15)24(37)28-12-21(33)27-13-22(34)35/h1-9,18-20,31-32H,10-14,26H2,(H,27,33)(H,28,37)(H,29,38)(H,30,36)(H,34,35) ChemAxon inchikey KBVXTGMSVOGSFI-UHFFFAOYSA-N ChemAxon polar_surface_area 220.18 ChemAxon refractivity 133.46 ChemAxon polarizability 53.39 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 9 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1260658 Specdb::MsMs 1260659 Specdb::MsMs 1260660 Specdb::MsMs 1375783 Specdb::MsMs 1375784 Specdb::MsMs 1375785 Specdb::MsMs 3606628 Specdb::MsMs 3606629 Specdb::MsMs 3606630 Specdb::MsMs 3607597 Specdb::MsMs 3607598 Specdb::MsMs 3607599