1.0 2010-04-08 22:14:05 UTC 2019-11-26 03:16:59 UTC FDB019016 N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine Constituent of the seeds of green gram (Vigna radiata). N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine is found in pulses. N5-Acetyl-N2-g-glutamylornithine, 9CI C12H21N3O6 303.3116 303.143035419 (2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-5-[(1-hydroxyethylidene)amino]pentanoic acid (2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-5-[(1-hydroxyethylidene)amino]pentanoic acid 102148-92-5 CC(=O)NCCC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t8-,9-/m1/s1 JAAJGIIASALJIT-RKDXNWHRSA-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 Acetamides Amino acids Carbonyl compounds Carboxylic acids D-alpha-amino acids Dicarboxylic acids and derivatives Fatty acids and conjugates Gamma-glutamyl amino acids Glutamine and derivatives Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Acetamide Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid D-alpha-amino acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Gamma-glutamyl alpha-amino acid Glutamine or derivatives Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide logp -2.81 ALOGPS logs -2.92 ALOGPS solubility 3.65e-01 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 1.95 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac (2R)-2-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-5-[(1-hydroxyethylidene)amino]pentanoic acid ChemAxon average_mass 303.3116 ChemAxon mono_mass 303.143035419 ChemAxon smiles CC(=O)NCCC[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(O)=O ChemAxon formula C12H21N3O6 ChemAxon inchi InChI=1S/C12H21N3O6/c1-7(16)14-6-2-3-9(12(20)21)15-10(17)5-4-8(13)11(18)19/h8-9H,2-6,13H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t8-,9-/m1/s1 ChemAxon inchikey JAAJGIIASALJIT-RKDXNWHRSA-N ChemAxon polar_surface_area 165.8 ChemAxon refractivity 71.78 ChemAxon polarizability 30.17 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB39423 #<Reference:0x000055ce320d5c40> Pulses Unknown generic