1.02010-04-08 22:08:25 UTC2018-05-28 23:21:22 UTCFDB009104Carrageenan, potassium salt ofIt is used as a food additive .C15H33N5O4347.4536347.253254569(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-hydroxybutanamide64366-24-1CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(N)(N)OInChI=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/s1HKKMJRVJHORDJQ-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.DipeptidesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAlkanolaminesAlpha amino acid amidesCarbonyl compoundsHydrocarbon derivativesMonoalkylaminesN-acyl aminesN-acyl-alpha amino acids and derivativesOrganic oxidesOrganopnictogen compoundsOrthocarboxylic acid derivativesSecondary alcoholsSecondary carboxylic acid amidesValine and derivativesAlcoholAliphatic acyclic compoundAlkanolamineAlpha-amino acid amideAlpha-amino acid or derivativesAlpha-dipeptideAmineAmino acid or derivativesCarbonyl groupCarboxamide groupFatty acylFatty amideHydrocarbon derivativeN-acyl-alpha amino acid or derivativesN-acyl-amineN-substituted-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrthocarboxylic acid derivativePrimary aliphatic aminePrimary amineSecondary alcoholSecondary carboxylic acid amideValine or derivativeslogp-1.03logs-2.03solubility3.26e+00 g/llogp-1.4pka_strongest_acidic11.83pka_strongest_basic8.23iupac(2S,3R)-2-[(2S)-2-amino-3-methylbutanamido]-N-[(2S)-1,1-diamino-1-hydroxy-4-methylpentan-2-yl]-3-hydroxybutanamideaverage_mass347.4536mono_mass347.253254569smilesCC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(N)(N)OformulaC15H33N5O4inchiInChI=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/s1inchikeyHKKMJRVJHORDJQ-RHYQMDGZSA-Npolar_surface_area176.72refractivity90.55polarizability37.69rotatable_bond_count9acceptor_count7donor_count7physiological_charge1formal_charge0Specdb::MsMs109692Specdb::MsMs109693Specdb::MsMs109694Specdb::MsMs177192Specdb::MsMs177193Specdb::MsMs177194Specdb::MsMs3604831Specdb::MsMs3604832Specdb::MsMs3604833Specdb::MsMs3604834Specdb::MsMs3604835Specdb::MsMs3604836