1.0 2020-03-10 16:59:20 UTC 2020-04-22 18:55:20 UTC BMDB0095986 BMDB95986 Kinetensin 4-8 (2S)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoate KT(4-8) 4-8-Kinetensin L-Arginyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanine C35H46N10O7 718.816 718.355093861 (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid 138482-58-3 N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O InChI=1S/C35H46N10O7/c36-25(8-4-14-40-35(37)38)30(47)43-27(18-23-19-39-20-41-23)33(50)45-15-5-9-29(45)32(49)42-26(16-22-10-12-24(46)13-11-22)31(48)44-28(34(51)52)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,19-20,25-29,46H,4-5,8-9,14-18,36H2,(H,39,41)(H,42,49)(H,43,47)(H,44,48)(H,51,52)(H4,37,38,40)/t25-,26-,27-,28-,29-/m0/s1 CCANVONJZOLPKG-ZIUUJSQJSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides 1-hydroxy-2-unsubstituted benzenoids Alpha amino acid amides Amino acids Amphetamines and derivatives Azacyclic compounds Carbonyl compounds Carboximidamides Carboximidic acids Carboxylic acids Guanidines Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazolyl carboxylic acids and derivatives Imines Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids N-acylpyrrolidines Organic oxides Organopnictogen compounds Phenylalanine and derivatives Phenylpropanoic acids Propargyl-type 1,3-dipolar organic compounds Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboximidic acid Carboximidic acid derivative Carboxylic acid Guanidine Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Imidazolyl carboxylic acid derivative Imine Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acylpyrrolidine Organic 1,3-dipolar compound 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 Propargyl-type 1,3-dipolar organic compound Pyrrolidine Tertiary carboxylic acid amide Aromatic heteromonocyclic compounds logp -1.31 ALOGPS logs -4.30 ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic 11.86 ChemAxon iupac (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid ChemAxon average_mass 718.816 ChemAxon mono_mass 718.355093861 ChemAxon smiles N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O ChemAxon formula C35H46N10O7 ChemAxon inchi InChI=1S/C35H46N10O7/c36-25(8-4-14-40-35(37)38)30(47)43-27(18-23-19-39-20-41-23)33(50)45-15-5-9-29(45)32(49)42-26(16-22-10-12-24(46)13-11-22)31(48)44-28(34(51)52)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,19-20,25-29,46H,4-5,8-9,14-18,36H2,(H,39,41)(H,42,49)(H,43,47)(H,44,48)(H,51,52)(H4,37,38,40)/t25-,26-,27-,28-,29-/m0/s1 ChemAxon inchikey CCANVONJZOLPKG-ZIUUJSQJSA-N ChemAxon polar_surface_area 281.74 ChemAxon refractivity 199.02 ChemAxon polarizability 73.22 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 12 ChemAxon donor_count 10 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 98318 Specdb::NmrOneD 98319 Specdb::NmrOneD 98320 Specdb::NmrOneD 98321 Specdb::NmrOneD 98322 Specdb::NmrOneD 98323 Specdb::NmrOneD 98324 Specdb::NmrOneD 98325 Specdb::NmrOneD 98326 Specdb::NmrOneD 98327 Specdb::NmrOneD 98328 Specdb::NmrOneD 98329 Specdb::NmrOneD 98330 Specdb::NmrOneD 98331 Specdb::NmrOneD 98332 Specdb::NmrOneD 98333 Specdb::NmrOneD 98334 Specdb::NmrOneD 98335 Specdb::NmrOneD 98336 Specdb::NmrOneD 98337 Specdb::MsMs 1262275 Specdb::MsMs 1262276 Specdb::MsMs 1262277 Specdb::MsMs 1377388 Specdb::MsMs 1377389 Specdb::MsMs 1377390 Specdb::MsMs 2453593 Specdb::MsMs 2453594 Specdb::MsMs 2453595 Specdb::MsMs 2484954 Specdb::MsMs 2484955 Specdb::MsMs 2484956 Specdb::CMs 759988 Specdb::CMs 759989 Specdb::CMs 759990 Specdb::CMs 759991 Specdb::CMs 759992 Specdb::CMs 759993 Specdb::CMs 759994 Specdb::CMs 759995 Specdb::CMs 759996 Specdb::CMs 759997 Specdb::CMs 759998 Specdb::CMs 759999 Specdb::CMs 760000 Specdb::CMs 760001 Specdb::CMs 760002 Specdb::CMs 760003 Specdb::CMs 760004 Specdb::CMs 760005 Specdb::CMs 760006 Specdb::CMs 760007 Specdb::CMs 760008 Specdb::CMs 760009 Specdb::CMs 760010 Specdb::CMs 760011 Specdb::CMs 760012 FDB029234 134159845