1.0 2010-04-08 22:14:06 UTC 2025-11-19 02:16:35 UTC FDB019056 Cyclo(glycylglycylleucylleucylleucylprolylprolylphenylalanyl) Constituent of the fruit peel of Citrus aurantium. Cyclo(glycylglycylleucylleucylleucylprolylprolylphenylalanyl) is found in citrus. C41H62N8O8 794.995 794.469060988 24-benzyl-9,12,15-tris(2-methylpropyl)-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0³,⁷]triacontan-2,8,11,14,17,20,23,26-octone 24-benzyl-9,12,15-tris(2-methylpropyl)-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0³,⁷]triacontan-2,8,11,14,17,20,23,26-octone CC(C)CC1NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O InChI=1S/C41H62N8O8/c1-24(2)18-28-37(53)45-29(19-25(3)4)38(54)47-31(20-26(5)6)40(56)49-17-11-15-33(49)41(57)48-16-10-14-32(48)39(55)46-30(21-27-12-8-7-9-13-27)36(52)43-22-34(50)42-23-35(51)44-28/h7-9,12-13,24-26,28-33H,10-11,14-23H2,1-6H3,(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,55)(H,47,54) YXKOCURCFHLHSM-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 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 Pyrrolidine Secondary carboxylic acid amide Tertiary carboxylic acid amide logp 1.74 ALOGPS logs -3.92 ALOGPS solubility 9.66e-02 g/l ALOGPS logp 0.53 ChemAxon pka_strongest_acidic 11.63 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 24-benzyl-9,12,15-tris(2-methylpropyl)-1,7,10,13,16,19,22,25-octaazatricyclo[25.3.0.0³,⁷]triacontan-2,8,11,14,17,20,23,26-octone ChemAxon average_mass 794.995 ChemAxon mono_mass 794.469060988 ChemAxon smiles CC(C)CC1NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O ChemAxon formula C41H62N8O8 ChemAxon inchi InChI=1S/C41H62N8O8/c1-24(2)18-28-37(53)45-29(19-25(3)4)38(54)47-31(20-26(5)6)40(56)49-17-11-15-33(49)41(57)48-16-10-14-32(48)39(55)46-30(21-27-12-8-7-9-13-27)36(52)43-22-34(50)42-23-35(51)44-28/h7-9,12-13,24-26,28-33H,10-11,14-23H2,1-6H3,(H,42,50)(H,43,52)(H,44,51)(H,45,53)(H,46,55)(H,47,54) ChemAxon inchikey YXKOCURCFHLHSM-UHFFFAOYSA-N ChemAxon polar_surface_area 215.22 ChemAxon refractivity 210.41 ChemAxon polarizability 85.01 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103371 Specdb::MsMs 103372 Specdb::MsMs 103373 Specdb::MsMs 169398 Specdb::MsMs 169399 Specdb::MsMs 169400 Specdb::MsMs 3606443 Specdb::MsMs 3606444 Specdb::MsMs 3606445 Specdb::MsMs 3606446 Specdb::MsMs 3606447 Specdb::MsMs 3606448 Citrus Unknown generic