1.0 2016-09-30 23:20:15 UTC 2020-04-22 15:16:52 UTC BMDB0006117 BMDB06117 APGPR Enterostatin Ala-pro-gly-pro-arg APGPR Procolipase activation peptide Alanyl-prolyl-glycyl-prolyl-arginine H-Ala-pro-gly-pro-arg-OH L-Alanyl-L-prolylglycyl-L-prolyl-L-arginine N2-[1-[N-(1-L-Alanyl-L-prolyl)glycyl]-L-prolyl] L-arginine (2S)-2-({[(2S)-1-[2-({[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)acetyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamidopentanoate C21H36N8O6 496.5605 496.275780924 (2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid enterostatin 117830-79-2 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1 ITZMJCSORYKOSI-AJNGGQMLSA-N belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Benzoyl derivatives Benzaldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzoyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aromatic homomonocyclic compounds an aryl aldehyde benzaldehydes Solid logp -3.04 ALOGPS logs -2.83 ALOGPS logp -5.4 ChemAxon pka_strongest_acidic 3.49 ChemAxon pka_strongest_basic 11.25 ChemAxon iupac (2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid ChemAxon average_mass 496.5605 ChemAxon mono_mass 496.275780924 ChemAxon smiles C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O ChemAxon formula C21H36N8O6 ChemAxon inchi InChI=1S/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1 ChemAxon inchikey ITZMJCSORYKOSI-AJNGGQMLSA-N ChemAxon polar_surface_area 226.54 ChemAxon refractivity 123.7 ChemAxon polarizability 50.75 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20861 Specdb::CMs 38960 Specdb::CMs 131410 Specdb::CMs 139144 Specdb::MsMs 312451 Specdb::MsMs 312452 Specdb::MsMs 312453 Specdb::MsMs 357718 Specdb::MsMs 357719 Specdb::MsMs 357720 Specdb::MsMs 3054524 Specdb::MsMs 3054525 Specdb::MsMs 3054526 Specdb::MsMs 3115716 Specdb::MsMs 3115717 Specdb::MsMs 3115718 Specdb::NmrOneD 67772 Specdb::NmrOneD 67773 Specdb::NmrOneD 67774 Specdb::NmrOneD 67775 Specdb::NmrOneD 67776 Specdb::NmrOneD 67777 Specdb::NmrOneD 67778 Specdb::NmrOneD 67779 Specdb::NmrOneD 67780 Specdb::NmrOneD 67781 Specdb::NmrOneD 67782 Specdb::NmrOneD 67783 Specdb::NmrOneD 67784 Specdb::NmrOneD 67785 Specdb::NmrOneD 67786 Specdb::NmrOneD 67787 Specdb::NmrOneD 67788 Specdb::NmrOneD 67789 Specdb::NmrOneD 67790 Specdb::NmrOneD 67791 2340236 FDB023831 3082883 Bowyer R C; Jehanli A M; Patel G; Hermon-Taylor J Development of enzyme-linked immunosorbent assay for free human pro-colipase activation peptide (APGPR). Clinica chimica acta; international journal of clinical chemistry (1991), 200(2-3), 137-52.