1.0 2010-04-08 22:15:39 UTC 2019-11-26 03:20:17 UTC FDB021364 Astin I Constituent of Actinidia kolomikta (kiwi fruit). Astin I is found in fruits. Elastin Elastins C25H34ClN5O7 552.02 551.214676174 17-chloro-3,13-diethyl-18-hydroxy-6-(hydroxymethyl)-9-phenyl-octadecahydropyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecane-1,4,7,11,14-pentone 17-chloro-3,13-diethyl-18-hydroxy-6-(hydroxymethyl)-9-phenyl-dodecahydro-2H-pyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecane-1,4,7,11,14-pentone 161162-22-7 CCC1NC(=O)C2C(O)C(Cl)CN2C(=O)C(CC)NC(=O)CC(NC(=O)C(CO)NC1=O)C1=CC=CC=C1 InChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35) COQCSFSVIYKVMO-UHFFFAOYSA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Hybrid peptides Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Aromatic heteropolycyclic compounds Alkyl chlorides Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Chlorohydrins Cyclic carboximidic acids Hydrocarbon derivatives Lactams Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Secondary alcohols Tertiary carboxylic acid amides Alcohol Alkyl chloride Alkyl halide Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Chlorohydrin Cyclic carboximidic acid Cyclic hybrid peptide Halohydrin Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Pyrrolidine Secondary alcohol Tertiary carboxylic acid amide logp -0.13 ALOGPS logs -3.01 ALOGPS solubility 5.44e-01 g/l ALOGPS melting_point Mp 174.1-176.5° logp -1.4 ChemAxon pka_strongest_acidic 9.92 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 17-chloro-3,13-diethyl-18-hydroxy-6-(hydroxymethyl)-9-phenyl-octadecahydropyrrolo[1,2-d]1,4,7,10,13-pentaazacyclohexadecane-1,4,7,11,14-pentone ChemAxon average_mass 552.02 ChemAxon mono_mass 551.214676174 ChemAxon smiles CCC1NC(=O)C2C(O)C(Cl)CN2C(=O)C(CC)NC(=O)CC(NC(=O)C(CO)NC1=O)C1=CC=CC=C1 ChemAxon formula C25H34ClN5O7 ChemAxon inchi InChI=1S/C25H34ClN5O7/c1-3-15-22(35)30-18(12-32)23(36)29-17(13-8-6-5-7-9-13)10-19(33)27-16(4-2)25(38)31-11-14(26)21(34)20(31)24(37)28-15/h5-9,14-18,20-21,32,34H,3-4,10-12H2,1-2H3,(H,27,33)(H,28,37)(H,29,36)(H,30,35) ChemAxon inchikey COQCSFSVIYKVMO-UHFFFAOYSA-N ChemAxon polar_surface_area 177.17 ChemAxon refractivity 134.72 ChemAxon polarizability 54.36 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 286516 Specdb::MsMs 286517 Specdb::MsMs 286518 Specdb::MsMs 325108 Specdb::MsMs 325109 Specdb::MsMs 325110 Specdb::MsMs 3055244 Specdb::MsMs 3055245 Specdb::MsMs 3055246 Specdb::MsMs 3111680 Specdb::MsMs 3111681 Specdb::MsMs 3111682 Specdb::NmrOneD 46682 Specdb::NmrOneD 46683 Specdb::NmrOneD 46684 Specdb::NmrOneD 46685 Specdb::NmrOneD 46686 Specdb::NmrOneD 46687 Specdb::NmrOneD 46688 Specdb::NmrOneD 46689 Specdb::NmrOneD 46690 Specdb::NmrOneD 46691 Specdb::NmrOneD 46692 Specdb::NmrOneD 46693 Specdb::NmrOneD 46694 Specdb::NmrOneD 46695 Specdb::NmrOneD 46696 Specdb::NmrOneD 46697 Specdb::NmrOneD 46698 Specdb::NmrOneD 46699 Specdb::NmrOneD 46700 Specdb::NmrOneD 46701 Specdb::CMs 9294 Specdb::CMs 47310 Specdb::CMs 281775 Specdb::CMs 334344 Specdb::CMs 334345 Specdb::CMs 334346 Specdb::CMs 334347 Specdb::CMs 334348 Specdb::CMs 334349 Specdb::CMs 334350 Specdb::CMs 334351 Specdb::CMs 334352 Specdb::CMs 334353 Specdb::CMs 334354 Specdb::CMs 334355 Specdb::CMs 334356 Specdb::CMs 334357 Specdb::CMs 334358 Specdb::CMs 334359 Specdb::CMs 334360 Specdb::CMs 334361 Specdb::CMs 334362 Specdb::CMs 334363 Specdb::CMs 334364 Specdb::CMs 334365 HMDB41419 #<Reference:0x00007f093c110a98> Fruits Unknown generic