1.0 2010-04-08 22:10:39 UTC 2025-11-18 23:43:42 UTC FDB013346 Cyclolinopeptide C Constituent of flax (Linum usitatissimum). Cyclolinopeptide C is found in tea and fats and oils. Cyclolinopeptide C C56H83N9O9S 1058.39 1057.603446463 24,27-dibenzyl-9,18-bis(butan-2-yl)-15-(2-methanesulfinylethyl)-12-(2-methylpropyl)-21-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^{3,7}]tritriacontane-2,8,11,14,17,20,23,26,29-nonone 24,27-dibenzyl-21-isopropyl-15-(2-methanesulfinylethyl)-12-(2-methylpropyl)-9,18-bis(sec-butyl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^{3,7}]tritriacontane-2,8,11,14,17,20,23,26,29-nonone CCC(C)C1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)CC)C(C)C InChI=1S/C56H83N9O9S/c1-10-35(7)46-54(72)57-39(26-29-75-9)48(66)58-40(30-33(3)4)50(68)63-47(36(8)11-2)56(74)65-28-19-25-44(65)55(73)64-27-18-24-43(64)52(70)60-41(31-37-20-14-12-15-21-37)49(67)59-42(32-38-22-16-13-17-23-38)51(69)61-45(34(5)6)53(71)62-46/h12-17,20-23,33-36,39-47H,10-11,18-19,24-32H2,1-9H3,(H,57,72)(H,58,66)(H,59,67)(H,60,70)(H,61,69)(H,62,71)(H,63,68) BRDMGDLQYNAXNM-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 heteropolycyclic compounds Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Cyclic peptides Hydrocarbon derivatives Lactams Macrolactams Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrrolidines Secondary carboxylic acid amides Sulfinyl compounds Sulfoxides Tertiary carboxylic acid amides Alpha-amino acid or derivatives Alpha-oligopeptide Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Cyclic alpha peptide Hydrocarbon derivative Lactam Macrolactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Pyrrolidine Secondary carboxylic acid amide Sulfinyl compound Sulfoxide Tertiary carboxylic acid amide logp 2.11 ChemAxon pka_strongest_acidic 11.46 ChemAxon pka_strongest_basic -3 ChemAxon iupac 24,27-dibenzyl-9,18-bis(butan-2-yl)-15-(2-methanesulfinylethyl)-12-(2-methylpropyl)-21-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^{3,7}]tritriacontane-2,8,11,14,17,20,23,26,29-nonone ChemAxon average_mass 1058.39 ChemAxon mono_mass 1057.603446463 ChemAxon smiles CCC(C)C1NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCSC)NC1=O)C(C)CC)C(C)C ChemAxon formula C56H83N9O9S ChemAxon inchi InChI=1S/C56H83N9O9S/c1-10-35(7)46-54(72)57-39(26-29-75-9)48(66)58-40(30-33(3)4)50(68)63-47(36(8)11-2)56(74)65-28-19-25-44(65)55(73)64-27-18-24-43(64)52(70)60-41(31-37-20-14-12-15-21-37)49(67)59-42(32-38-22-16-13-17-23-38)51(69)61-45(34(5)6)53(71)62-46/h12-17,20-23,33-36,39-47H,10-11,18-19,24-32H2,1-9H3,(H,57,72)(H,58,66)(H,59,67)(H,60,70)(H,61,69)(H,62,71)(H,63,68) ChemAxon inchikey BRDMGDLQYNAXNM-UHFFFAOYSA-N ChemAxon polar_surface_area 261.39 ChemAxon refractivity 289 ChemAxon polarizability 115.53 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442