1.0 2016-09-30 23:18:20 UTC 2020-04-22 15:16:16 UTC BMDB0005775 BMDB05775 Tetragastrin CCK-4 CCRIS 3246 Cholecystokinin tetrapeptide Cholecystokinin-4 Gastrin tetrapeptide Gastrin tetrapeptide amide L-TRP-L-Met-L-asp-L-phe-NH(2) L-Tryptophyl-L-methionyl-L-aspartyl-L-phenylalaninamide TRP-Met-asp-phe-NH(2) WMDF-NH(2) Carbobenzoxy-TRP-met-asp-phe-amide Gatratet L-Tryptophyl-L-methionyl-L-aspartylphenyl-alaninamide 4, Cholecystokinin Cholecystokinin-tetrapeptide AOC-tetragastrin CCK (30-33) Cholecystokinin (30-33) Cholecystokinin 4 Tetrapeptide, gastrin AOC-tetrapeptide CKK-4 AOC tetragastrin AOC tetrapeptide C29H36N6O6S 596.698 596.241703604 (3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid (3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid 1947-37-1 CSCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1 RGYLYUZOGHTBRF-BIHRQFPBSA-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 3-alkylindoles Alpha amino acid amides Amino acids Amphetamines and derivatives Aralkylamines Aspartic acid and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Methionine and derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Phenylalanine and derivatives Primary carboxylic acid amides Secondary carboxylic acid amides Substituted pyrroles Sulfenyl compounds Tryptamines and derivatives 3-alkylindole Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-oligopeptide Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aralkylamine Aromatic heteropolycyclic compound Aspartic acid or derivatives Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Fatty acyl Fatty amide Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Methionine or derivatives Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Primary carboxylic acid amide Pyrrole Secondary carboxylic acid amide Substituted pyrrole Sulfenyl compound Thioether Triptan Aromatic heteropolycyclic compounds Solid logp -0.41 ALOGPS logs -5.09 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.7 ChemAxon pka_strongest_basic 7.66 ChemAxon iupac (3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid ChemAxon average_mass 596.698 ChemAxon mono_mass 596.241703604 ChemAxon smiles CSCC[C@H](NC(=O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O ChemAxon formula C29H36N6O6S ChemAxon inchi InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1 ChemAxon inchikey RGYLYUZOGHTBRF-BIHRQFPBSA-N ChemAxon polar_surface_area 209.5 ChemAxon refractivity 157.66 ChemAxon polarizability 62.16 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 7 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 318004 Specdb::MsMs 318005 Specdb::MsMs 318006 Specdb::MsMs 364663 Specdb::MsMs 364664 Specdb::MsMs 364665 Specdb::MsMs 2733012 Specdb::MsMs 2733013 Specdb::MsMs 2733014 Specdb::MsMs 2972493 Specdb::MsMs 2972494 Specdb::MsMs 2972495 Specdb::CMs 23458 Specdb::CMs 38879 Specdb::CMs 455775 Specdb::CMs 455776 Specdb::CMs 455777 Specdb::CMs 455778 Specdb::CMs 455779 Specdb::CMs 455780 Specdb::CMs 455781 Specdb::CMs 455782 Specdb::CMs 455783 Specdb::CMs 455784 Specdb::CMs 455785 Specdb::CMs 455786 Specdb::CMs 455787 Specdb::CMs 791869 Specdb::NmrOneD 150020 Specdb::NmrOneD 150021 Specdb::NmrOneD 150022 Specdb::NmrOneD 150023 Specdb::NmrOneD 150024 Specdb::NmrOneD 150025 Specdb::NmrOneD 150026 Specdb::NmrOneD 150027 Specdb::NmrOneD 150028 Specdb::NmrOneD 150029 Specdb::NmrOneD 150030 Specdb::NmrOneD 150031 Specdb::NmrOneD 150032 Specdb::NmrOneD 150033 Specdb::NmrOneD 150034 Specdb::NmrOneD 150035 Specdb::NmrOneD 150036 Specdb::NmrOneD 150037 Specdb::NmrOneD 150038 Specdb::NmrOneD 150039 FDB023765 393888 446569 137728 CCK-4 Hardy, P. M.; Kenner, G. W.; Sheppard, R. C.; MacLeod, J. K.; Morley, J. S. Therapeutical acylated tetrapeptides. (1965), 58 pp. BE 665591 19651217 CAN 64:104706 AN 1966:104706