1.0 2016-09-30 23:18:18 UTC 2020-04-22 15:16:15 UTC BMDB0005773 BMDB05773 Endomorphin-1 Endomorphin 1 H-Tyr-pro-TRP-phe-NH2 (DMT1)Endomorphin-1 Tyr-pro-TRP-phe-NH2 Tyrosyl-prolyl-tryptophyl-phenylalaninamide (2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-[(1S)-1-(C-hydroxycarbonimidoyl)-2-phenylethyl]-3-(1H-indol-3-yl)propanimidate Endomorphin-1 C34H38N6O5 610.7027 610.290368356 (2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide (2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide 189388-22-5 N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1 ZEXLJFNSKAHNFH-SYKYGTKKSA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Oligopeptides 1-hydroxy-2-unsubstituted benzenoids 3-alkylindoles Alpha amino acid amides Amphetamines and derivatives Aralkylamines Azacyclic compounds Carbonyl compounds Fatty amides Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines N-acyl-alpha amino acids and derivatives N-acylpyrrolidines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Primary carboxylic acid amides Proline and derivatives Pyrrolidinecarboxamides Secondary carboxylic acid amides Substituted pyrroles Tertiary carboxylic acid amides Tryptamines and derivatives 1-hydroxy-2-unsubstituted benzenoid 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acylpyrrolidine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Primary carboxylic acid amide Proline or derivatives Pyrrole Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Substituted pyrrole Tertiary carboxylic acid amide Triptan Aromatic heteropolycyclic compounds Solid logp 2.15 ALOGPS logs -5.05 ALOGPS logp 1.9 ChemAxon pka_strongest_acidic 9.51 ChemAxon pka_strongest_basic 7.72 ChemAxon iupac (2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide ChemAxon average_mass 610.7027 ChemAxon mono_mass 610.290368356 ChemAxon smiles N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O ChemAxon formula C34H38N6O5 ChemAxon inchi InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1 ChemAxon inchikey ZEXLJFNSKAHNFH-SYKYGTKKSA-N ChemAxon polar_surface_area 183.64 ChemAxon refractivity 168.83 ChemAxon polarizability 65.34 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 6 ChemAxon donor_count 6 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18181 Specdb::CMs 38877 Specdb::CMs 516132 Specdb::CMs 516133 Specdb::CMs 516134 Specdb::CMs 516135 Specdb::CMs 516136 Specdb::CMs 516137 Specdb::CMs 516138 Specdb::CMs 516139 Specdb::CMs 516140 Specdb::CMs 516141 Specdb::CMs 516142 Specdb::CMs 792374 Specdb::MsMs 306307 Specdb::MsMs 306308 Specdb::MsMs 306309 Specdb::MsMs 349906 Specdb::MsMs 349907 Specdb::MsMs 349908 Specdb::MsMs 2462946 Specdb::MsMs 2462947 Specdb::MsMs 2462948 Specdb::MsMs 2499470 Specdb::MsMs 2499471 Specdb::MsMs 2499472 FDB023763 4470614 5311080 239449 Endomorphin-1 Cardillo, Giuliana; Gentilucci, Luca; Qasem, Ahmed R.; Sgarzi, Fabio; Spampinato, Santi. Endomorphin-1 Analogues Containing b-Proline Are m-Opioid Receptor Agonists and Display Enhanced Enzymatic Hydrolysis Resistance. Journal of Medicinal Chemistry (2002