1.0 2010-04-08 22:08:25 UTC 2025-11-18 23:15:08 UTC FDB009115 Casein It is used as a food additive . C81H125N22O39P 2061.98 2060.821189291 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid 9000-71-9 CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O InChI=1S/C81H125N22O39P/c1-36(2)31-50(76(132)94-43(15-24-57(87)108)71(127)101-52(34-64(120)121)78(134)98-49(81(137)138)11-7-8-30-82)99-72(128)47(19-28-61(114)115)95-77(133)51(33-63(118)119)100-73(129)48(20-29-62(116)117)97-80(136)65(37(3)104)103-75(131)44(16-25-58(88)109)92-68(124)42(14-23-56(86)107)90-67(123)41(13-22-55(85)106)91-69(125)45(17-26-59(110)111)93-70(126)46(18-27-60(112)113)96-79(135)53(35-142-143(139,140)141)102-74(130)40(12-21-54(84)105)89-66(122)39(83)32-38-9-5-4-6-10-38/h4-6,9-10,36-37,39-53,65,104H,7-8,11-35,82-83H2,1-3H3,(H2,84,105)(H2,85,106)(H2,86,107)(H2,87,108)(H2,88,109)(H,89,122)(H,90,123)(H,91,125)(H,92,124)(H,93,126)(H,94,132)(H,95,133)(H,96,135)(H,97,136)(H,98,134)(H,99,128)(H,100,129)(H,101,127)(H,102,130)(H,103,131)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,137,138)(H2,139,140,141) BECPQYXYKAMYBN-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 homomonocyclic compounds Amino acids Amino fatty acids Amphetamines and derivatives Aralkylamines Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monoalkyl phosphates Monoalkylamines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Alcohol Alkyl phosphate Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Amino fatty acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Carboxylic acid derivative Fatty acyl Hybrid peptide Hydrocarbon derivative Hydroxy fatty acid Monoalkyl phosphate Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoric acid ester Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Secondary alcohol logp -0.15 ALOGPS logs -4.02 ALOGPS solubility 1.97e-01 g/l ALOGPS logp 0.25 ChemAxon pka_strongest_acidic 1.23 ChemAxon iupac 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid ChemAxon average_mass 2061.98 ChemAxon mono_mass 2060.821189291 ChemAxon smiles CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O ChemAxon formula C81H125N22O39P ChemAxon inchi InChI=1S/C81H125N22O39P/c1-36(2)31-50(76(132)94-43(15-24-57(87)108)71(127)101-52(34-64(120)121)78(134)98-49(81(137)138)11-7-8-30-82)99-72(128)47(19-28-61(114)115)95-77(133)51(33-63(118)119)100-73(129)48(20-29-62(116)117)97-80(136)65(37(3)104)103-75(131)44(16-25-58(88)109)92-68(124)42(14-23-56(86)107)90-67(123)41(13-22-55(85)106)91-69(125)45(17-26-59(110)111)93-70(126)46(18-27-60(112)113)96-79(135)53(35-142-143(139,140)141)102-74(130)40(12-21-54(84)105)89-66(122)39(83)32-38-9-5-4-6-10-38/h4-6,9-10,36-37,39-53,65,104H,7-8,11-35,82-83H2,1-3H3,(H2,84,105)(H2,85,106)(H2,86,107)(H2,87,108)(H2,88,109)(H,89,122)(H,90,123)(H,91,125)(H,92,124)(H,93,126)(H,94,132)(H,95,133)(H,96,135)(H,97,136)(H,98,134)(H,99,128)(H,100,129)(H,101,127)(H,102,130)(H,103,131)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,137,138)(H2,139,140,141) ChemAxon inchikey BECPQYXYKAMYBN-UHFFFAOYSA-N ChemAxon polar_surface_area 1109.38 ChemAxon refractivity 534.75 ChemAxon polarizability 205.36 ChemAxon rotatable_bond_count 74 ChemAxon acceptor_count 60 ChemAxon donor_count 37 ChemAxon physiological_charge -15 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3604837 Specdb::MsMs 3604838 Specdb::MsMs 3604839 Specdb::MsMs 3606143 Specdb::MsMs 3606144 Specdb::MsMs 3606145