1.0 2010-04-08 22:08:16 UTC 2019-11-26 03:03:16 UTC FDB008823 Annomuricatin B Constituent of the seeds of Annona muricata (soursop). Annomuricatin B is found in fruits. C35H49N9O9 739.831 739.365324194 2-[18-(1-hydroxyethyl)-9-[(1H-indol-3-yl)methyl]-6-methyl-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaoxo-docosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-3-yl]acetamide 2-[18-(1-hydroxyethyl)-9-(1H-indol-3-ylmethyl)-6-methyl-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaoxo-hexadecahydropyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-3-yl]acetamide CC(C)CC1NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C2CCCN2C(=O)C(NC(=O)CNC1=O)C(C)O InChI=1S/C35H49N9O9/c1-17(2)12-23-31(49)38-16-28(47)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)42-25(14-27(36)46)32(50)39-18(3)30(48)40-24(33(51)41-23)13-20-15-37-22-9-6-5-8-21(20)22/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,49)(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,47) DHPZPVONGOOZPQ-UHFFFAOYSA-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. Oligopeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds 3-alkylindoles Alpha amino acids and derivatives Azacyclic compounds Benzenoids Carbonyl compounds Cyclic peptides Heteroaromatic compounds Hydrocarbon derivatives Lactams Macrolactams Organic oxides Organonitrogen compounds Organopnictogen compounds Primary carboxylic acid amides Pyrrolidines Secondary alcohols Secondary carboxylic acid amides Substituted pyrroles Tertiary carboxylic acid amides 3-alkylindole Alcohol Alpha-amino acid or derivatives Alpha-oligopeptide Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Cyclic alpha peptide Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Lactam Macrolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Pyrrole Pyrrolidine Secondary alcohol Secondary carboxylic acid amide Substituted pyrrole Tertiary carboxylic acid amide logp -0.20 ALOGPS logs -3.60 ALOGPS solubility 1.87e-01 g/l ALOGPS melting_point Mp 213° logp -3.1 ChemAxon pka_strongest_acidic 11.43 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-[18-(1-hydroxyethyl)-9-[(1H-indol-3-yl)methyl]-6-methyl-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaoxo-docosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-3-yl]acetamide ChemAxon average_mass 739.831 ChemAxon mono_mass 739.365324194 ChemAxon smiles CC(C)CC1NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C2CCCN2C(=O)C(NC(=O)CNC1=O)C(C)O ChemAxon formula C35H49N9O9 ChemAxon inchi InChI=1S/C35H49N9O9/c1-17(2)12-23-31(49)38-16-28(47)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)42-25(14-27(36)46)32(50)39-18(3)30(48)40-24(33(51)41-23)13-20-15-37-22-9-6-5-8-21(20)22/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,49)(H,39,50)(H,40,48)(H,41,51)(H,42,52)(H,43,47) ChemAxon inchikey DHPZPVONGOOZPQ-UHFFFAOYSA-N ChemAxon polar_surface_area 274.02 ChemAxon refractivity 187.48 ChemAxon polarizability 74.95 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63867 Specdb::MsMs 63868 Specdb::MsMs 63869 Specdb::MsMs 120888 Specdb::MsMs 120889 Specdb::MsMs 120890 Specdb::MsMs 3604783 Specdb::MsMs 3604784 Specdb::MsMs 3604785 Specdb::MsMs 3604786 Specdb::MsMs 3604787 Specdb::MsMs 3604788 Fruits Unknown generic