1.0 2016-09-30 22:40:19 UTC 2020-04-22 15:06:27 UTC BMDB0001045 BMDB01045 Enkephalin L (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanoic acid [5-Leucine]enkephalin [Leu(5)]-enkephalin [Leu(5)]enkephalin [Leu]enkephalin Enkephalin, leucine H-Tyr-gly-gly-phe-leu-OH L-ENK L-Tyr-gly-gly-L-phe-L-leu Leu-enk Leucine enkephalin Leucine-enkephalin Leucyl-enkephalin LeuENK N-(N-(N-(N-L-Tyrosylglycyl)glycyl)-L-phenylalanyl)-L-leucine Tyr-gly-gly-phe-leu Tyr-gly-gly-phe-leu-OH Y-g-g-F-L YGGFL (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanoate Leucine- enkephalin Leu-enkephalin [Leu 5]enkephalin [Leu5]-enkephalin Enkephalin, 5-leucine Leu enkephalin 5 Leucine enkephalin Leu(5)-enkephalin 5-Leucine enkephalin (2S)-2-{[(2S)-2-({2-[(2-{[(2S)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-4-methylpentanoate C28H37N5O7 555.6227 555.269298563 (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanoic acid (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanoic acid 58822-25-6 CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1 URLZCHNOLZSCCA-VABKMULXSA-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 Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboxylic acids Fatty amides Hydrocarbon derivatives Leucine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Phenylalanine and derivatives Secondary carboxylic acid amides Tyrosine and derivatives 1-hydroxy-2-unsubstituted benzenoid Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Leucine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Primary aliphatic amine Primary amine Secondary carboxylic acid amide Tyrosine or derivatives Aromatic homomonocyclic compounds Solid logp -1.05 ALOGPS logs -4.58 ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 3.7 ChemAxon pka_strongest_basic 7.73 ChemAxon iupac (2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanoic acid ChemAxon average_mass 555.6227 ChemAxon mono_mass 555.269298563 ChemAxon smiles CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O ChemAxon formula C28H37N5O7 ChemAxon inchi InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1 ChemAxon inchikey URLZCHNOLZSCCA-VABKMULXSA-N ChemAxon polar_surface_area 199.95 ChemAxon refractivity 145.59 ChemAxon polarizability 57.94 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 8 ChemAxon donor_count 7 ChemAxon physiological_charge 0 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::NmrOneD 146190 Specdb::NmrOneD 146191 Specdb::NmrOneD 146192 Specdb::NmrOneD 146193 Specdb::NmrOneD 146194 Specdb::NmrOneD 146195 Specdb::NmrOneD 146196 Specdb::NmrOneD 146197 Specdb::NmrOneD 146198 Specdb::NmrOneD 146199 Specdb::NmrOneD 146200 Specdb::NmrOneD 146201 Specdb::NmrOneD 146202 Specdb::NmrOneD 146203 Specdb::NmrOneD 146204 Specdb::NmrOneD 146205 Specdb::NmrOneD 146206 Specdb::NmrOneD 146207 Specdb::NmrOneD 146208 Specdb::NmrOneD 146209 Specdb::MsMs 307489 Specdb::MsMs 307490 Specdb::MsMs 307491 Specdb::MsMs 351454 Specdb::MsMs 351455 Specdb::MsMs 351456 Specdb::MsMs 2690159 Specdb::MsMs 2690160 Specdb::MsMs 2690161 Specdb::MsMs 2988119 Specdb::MsMs 2988120 Specdb::MsMs 2988121 Specdb::CMs 18686 Specdb::CMs 37902 Specdb::CMs 281930 Specdb::CMs 339941 Specdb::CMs 339942 Specdb::CMs 339943 Specdb::CMs 339944 Specdb::CMs 339945 Specdb::CMs 339946 Specdb::CMs 339947 Specdb::CMs 339948 Specdb::CMs 339949 Specdb::CMs 339950 Specdb::CMs 339951 Specdb::CMs 339952 Specdb::CMs 339953 Specdb::CMs 339954 Specdb::CMs 339955 Specdb::CMs 339956 Specdb::CMs 339957 Specdb::CMs 339958 Specdb::CMs 339959 Specdb::CMs 339960 Specdb::CMs 339961 Specdb::CMs 339962 FDB022389 406229 89656 461776 Leu-enkephalin