1.0 2020-03-03 19:33:01 UTC 2020-04-22 15:56:15 UTC BMDB0063968 BMDB63968 Leucylleucine H-L-Leu-L-leu-OH H-Leu-leu-OH L-Leu-L-leu LL LL Dipeptide L-L Dipeptide L-Leucyl-L-leucine Leu-leu Leucine leucine dipeptide Leucine-leucine dipeptide Leucylleucine monohydrochloride, (L-leu-L-leu)-isomer Leucylleucine, (L-leu-D-leu)-isomer Leucylleucine, (D-leu-D-leu)-isomer Leucylleucine, (L-leu-L-leu)-isomer L-Leucinyl-L-leucine Leucinyl-leucine Leucyl-leucine N-L-Leucinyl-L-leucine N-L-Leucyl-L-leucine N-Leucinylleucine N-Leucylleucine Leucylleucine C12H24N2O3 244.335 244.178692641 (2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoic acid leucyl-leucine 3303-31-9 CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1 LCPYQJIKPJDLLB-UWVGGRQHSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Hydrocarbon derivatives Leucine and derivatives Methyl-branched fatty acids Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Branched fatty acid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative Leucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives 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 Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Aliphatic acyclic compounds dipeptide logp -0.86 ALOGPS logs -1.87 ALOGPS logp -0.87 ChemAxon pka_strongest_acidic 4.11 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac (2S)-2-[(2S)-2-amino-4-methylpentanamido]-4-methylpentanoic acid ChemAxon average_mass 244.335 ChemAxon mono_mass 244.178692641 ChemAxon smiles CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(O)=O ChemAxon formula C12H24N2O3 ChemAxon inchi InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1 ChemAxon inchikey LCPYQJIKPJDLLB-UWVGGRQHSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 65.14 ChemAxon polarizability 27.29 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 106318 Specdb::NmrOneD 106319 Specdb::NmrOneD 106320 Specdb::NmrOneD 106321 Specdb::NmrOneD 106322 Specdb::NmrOneD 106323 Specdb::NmrOneD 106324 Specdb::NmrOneD 106325 Specdb::NmrOneD 106326 Specdb::NmrOneD 106327 Specdb::NmrOneD 106328 Specdb::NmrOneD 106329 Specdb::NmrOneD 106330 Specdb::NmrOneD 106331 Specdb::NmrOneD 106332 Specdb::NmrOneD 106333 Specdb::NmrOneD 106334 Specdb::NmrOneD 106335 Specdb::NmrOneD 106336 Specdb::NmrOneD 106337 Specdb::CMs 102745 Specdb::CMs 102746 Specdb::CMs 161587 Specdb::MsMs 2231281 Specdb::MsMs 2232900 Specdb::MsMs 2252536 Specdb::MsMs 2253964 Specdb::MsMs 2254545 Specdb::MsMs 2256007 Specdb::MsMs 2256621 Specdb::MsMs 2257987 Specdb::MsMs 2258628 Specdb::MsMs 2259924 Specdb::MsMs 2426521 Specdb::MsMs 2426522 Specdb::MsMs 2426523 Specdb::MsMs 2511738 Specdb::MsMs 2511739 Specdb::MsMs 2511740 FDB111960 69263 76807 C11332 73531 L-LEUCYL-L-LEUCINE C00038887