1.0 2020-03-03 19:33:35 UTC 2020-04-22 15:56:19 UTC BMDB0063978 BMDB63978 Lysylaspartic acid K-D KD L-Lys-L-asp Lysylaspartate Lys-asp Lysyl aspartic acid K-D Dipeptide KD Dipeptide L-Lysyl-L-aspartate L-Lysyl-L-aspartic acid Lysine aspartate dipeptide Lysine aspartic acid dipeptide Lysine-aspartate dipeptide Lysine-aspartic acid dipeptide Lysyl-aspartate Lysyl-aspartic acid N-L-Lysyl-L-aspartate N-L-Lysyl-L-aspartic acid N-Lysylaspartate N-Lysylaspartic acid Lysylaspartic acid C10H19N3O5 261.278 261.132470724 (2S)-2-[(2S)-2,6-diaminohexanamido]butanedioic acid (2S)-2-[(2S)-2,6-diaminohexanamido]butanedioic acid 20556-18-7 NCCCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 CIOWSLJGLSUOME-BQBZGAKWSA-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. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Dipeptides Acyl L-homoserines Alpha amino acid amides Amino acids Aspartic acid and derivatives Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Acyl-homoserine Acyl-l-homoserine Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Aspartic acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty amide Hydrocarbon derivative N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary carboxylic acid amide Aliphatic acyclic compounds dipeptide logp -4.02 ALOGPS logs -1.74 ALOGPS logp -6.4 ChemAxon pka_strongest_acidic 3.34 ChemAxon pka_strongest_basic 10.21 ChemAxon iupac (2S)-2-[(2S)-2,6-diaminohexanamido]butanedioic acid ChemAxon average_mass 261.278 ChemAxon mono_mass 261.132470724 ChemAxon smiles NCCCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon formula C10H19N3O5 ChemAxon inchi InChI=1S/C10H19N3O5/c11-4-2-1-3-6(12)9(16)13-7(10(17)18)5-8(14)15/h6-7H,1-5,11-12H2,(H,13,16)(H,14,15)(H,17,18)/t6-,7-/m0/s1 ChemAxon inchikey CIOWSLJGLSUOME-BQBZGAKWSA-N ChemAxon polar_surface_area 155.74 ChemAxon refractivity 61.14 ChemAxon polarizability 26.05 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 5 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::MsMs 2402354 Specdb::MsMs 2402355 Specdb::MsMs 2402356 Specdb::MsMs 2532573 Specdb::MsMs 2532574 Specdb::MsMs 2532575 Specdb::CMs 150568 Specdb::NmrOneD 106518 Specdb::NmrOneD 106519 Specdb::NmrOneD 106520 Specdb::NmrOneD 106521 Specdb::NmrOneD 106522 Specdb::NmrOneD 106523 Specdb::NmrOneD 106524 Specdb::NmrOneD 106525 Specdb::NmrOneD 106526 Specdb::NmrOneD 106527 Specdb::NmrOneD 106528 Specdb::NmrOneD 106529 Specdb::NmrOneD 106530 Specdb::NmrOneD 106531 Specdb::NmrOneD 106532 Specdb::NmrOneD 106533 Specdb::NmrOneD 106534 Specdb::NmrOneD 106535 Specdb::NmrOneD 106536 Specdb::NmrOneD 106537 FDB111970 4932361 6426943 73601