1.0 2010-04-08 22:08:25 UTC 2018-05-28 23:21:22 UTC FDB009104 Carrageenan, potassium salt of It is used as a food additive . C15H33N5O4 347.4536 347.253254569 (2S,3R)-2-[(2S)-2-amino-3-methylbutanamido]-N-[(2S)-1,1-diamino-1-hydroxy-4-methylpentan-2-yl]-3-hydroxybutanamide (2S,3R)-2-[(2S)-2-amino-3-methylbutanamido]-N-[(2S)-1,1-diamino-1-hydroxy-4-methylpentan-2-yl]-3-hydroxybutanamide 64366-24-1 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(N)(N)O InChI=1S/C15H33N5O4/c1-7(2)6-10(15(17,18)24)19-14(23)12(9(5)21)20-13(22)11(16)8(3)4/h7-12,21,24H,6,16-18H2,1-5H3,(H,19,23)(H,20,22)/t9-,10+,11+,12+/m1/s1 HKKMJRVJHORDJQ-RHYQMDGZSA-N belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Dipeptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alkanolamines Alpha amino acid amides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Orthocarboxylic acid derivatives Secondary alcohols Secondary carboxylic acid amides Valine and derivatives Alcohol Aliphatic acyclic compound Alkanolamine Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid or derivatives Carbonyl group Carboxamide group Fatty acyl Fatty amide Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Orthocarboxylic acid derivative Primary aliphatic amine Primary amine Secondary alcohol Secondary carboxylic acid amide Valine or derivatives logp -1.03 ALOGPS logs -2.03 ALOGPS solubility 3.26e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 11.83 ChemAxon pka_strongest_basic 8.23 ChemAxon iupac (2S,3R)-2-[(2S)-2-amino-3-methylbutanamido]-N-[(2S)-1,1-diamino-1-hydroxy-4-methylpentan-2-yl]-3-hydroxybutanamide ChemAxon average_mass 347.4536 ChemAxon mono_mass 347.253254569 ChemAxon smiles CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(N)(N)O ChemAxon formula C15H33N5O4 ChemAxon inchi InChI=1S/C15H33N5O4/c1-7(2)6-10(15(17,18)24)19-14(23)12(9(5)21)20-13(22)11(16)8(3)4/h7-12,21,24H,6,16-18H2,1-5H3,(H,19,23)(H,20,22)/t9-,10+,11+,12+/m1/s1 ChemAxon inchikey HKKMJRVJHORDJQ-RHYQMDGZSA-N ChemAxon polar_surface_area 176.72 ChemAxon refractivity 90.55 ChemAxon polarizability 37.69 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 7 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109692 Specdb::MsMs 109693 Specdb::MsMs 109694 Specdb::MsMs 177192 Specdb::MsMs 177193 Specdb::MsMs 177194 Specdb::MsMs 3604831 Specdb::MsMs 3604832 Specdb::MsMs 3604833 Specdb::MsMs 3604834 Specdb::MsMs 3604835 Specdb::MsMs 3604836