1.0 2010-04-08 22:14:06 UTC 2025-11-19 02:16:35 UTC FDB019055 Cyclo(glycylleucylvalylleucylprolylseryl) Constituent of the fruit peel of Citrus aurantium. Cyclo(glycylleucylvalylleucylprolylseryl) is found in citrus. C27H46N6O7 566.7 566.342797845 3-(hydroxymethyl)-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone 3-(hydroxymethyl)-12-isopropyl-9,15-bis(2-methylpropyl)-tetradecahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)C InChI=1S/C27H46N6O7/c1-14(2)10-17-24(37)32-22(16(5)6)26(39)30-18(11-15(3)4)27(40)33-9-7-8-20(33)25(38)31-19(13-34)23(36)28-12-21(35)29-17/h14-20,22,34H,7-13H2,1-6H3,(H,28,36)(H,29,35)(H,30,39)(H,31,38)(H,32,37) AGPIOXWTGKGPPK-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 Aliphatic heteropolycyclic compounds Alpha amino acids and derivatives Azacyclic compounds Carbonyl compounds Cyclic peptides Hydrocarbon derivatives Lactams Macrolactams Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Pyrrolidines Secondary carboxylic acid amides Tertiary carboxylic acid amides Alcohol Aliphatic heteropolycyclic compound Alpha-amino acid or derivatives Alpha-oligopeptide Azacycle Carbonyl group Carboxamide group Cyclic alpha peptide Hydrocarbon derivative Lactam Macrolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrolidine Secondary carboxylic acid amide Tertiary carboxylic acid amide logp -0.03 ALOGPS logs -2.91 ALOGPS solubility 6.98e-01 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 10.36 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-(hydroxymethyl)-9,15-bis(2-methylpropyl)-12-(propan-2-yl)-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone ChemAxon average_mass 566.7 ChemAxon mono_mass 566.342797845 ChemAxon smiles CC(C)CC1NC(=O)CNC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(NC1=O)C(C)C ChemAxon formula C27H46N6O7 ChemAxon inchi InChI=1S/C27H46N6O7/c1-14(2)10-17-24(37)32-22(16(5)6)26(39)30-18(11-15(3)4)27(40)33-9-7-8-20(33)25(38)31-19(13-34)23(36)28-12-21(35)29-17/h14-20,22,34H,7-13H2,1-6H3,(H,28,36)(H,29,35)(H,30,39)(H,31,38)(H,32,37) ChemAxon inchikey AGPIOXWTGKGPPK-UHFFFAOYSA-N ChemAxon polar_surface_area 186.04 ChemAxon refractivity 144.87 ChemAxon polarizability 59.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100854 Specdb::MsMs 100855 Specdb::MsMs 100856 Specdb::MsMs 166308 Specdb::MsMs 166309 Specdb::MsMs 166310 Specdb::MsMs 3606437 Specdb::MsMs 3606438 Specdb::MsMs 3606439 Specdb::MsMs 3606440 Specdb::MsMs 3606441 Specdb::MsMs 3606442 Citrus Unknown generic