1.0 2016-10-03 18:35:17 UTC 2020-04-22 15:49:23 UTC BMDB0012267 BMDB12267 N-Succinyl-L,L-2,6-diaminopimelate N-Succinyl-L,L-2,6-diaminopimelic acid L,L-Sdap N-Succinyl-L-2,6-diaminoheptanedioate N-Succinyl-L-2,6-diaminoheptanedioic acid N-Succinyl-LL-2,6-diaminoheptanedioate N-Succinyl-LL-2,6-diaminoheptanedioic acid N-Succinyl-LL-2,6-diaminopimelate C11H18N2O7 290.2698 290.11140094 (6S)-2-amino-6-(3-carboxypropanamido)heptanedioic acid (6S)-2-amino-6-(3-carboxypropanamido)heptanedioic acid 26605-36-7 NC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6?,7-/m0/s1 GLXUWZBUPATPBR-MLWJPKLSSA-N belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues N-acyl-L-alpha-amino acids Alpha amino acids Amino acids Amino fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines N-acyl amines Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Amino fatty acid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative 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 Tricarboxylic acid or derivatives Aliphatic acyclic compounds Solid logp -3.08 ALOGPS logs -1.70 ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic 9.53 ChemAxon iupac (6S)-2-amino-6-(3-carboxypropanamido)heptanedioic acid ChemAxon average_mass 290.2698 ChemAxon mono_mass 290.11140094 ChemAxon smiles NC(CCC[C@H](NC(=O)CCC(O)=O)C(O)=O)C(O)=O ChemAxon formula C11H18N2O7 ChemAxon inchi InChI=1S/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6?,7-/m0/s1 ChemAxon inchikey GLXUWZBUPATPBR-MLWJPKLSSA-N ChemAxon polar_surface_area 167.02 ChemAxon refractivity 63.98 ChemAxon polarizability 27.09 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge -2 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 27317 Specdb::MsMs 27318 Specdb::MsMs 27319 Specdb::MsMs 33875 Specdb::MsMs 33876 Specdb::MsMs 33877 Specdb::MsMs 2671161 Specdb::MsMs 2671162 Specdb::MsMs 2671163 Specdb::MsMs 3011076 Specdb::MsMs 3011077 Specdb::MsMs 3011078 Specdb::NmrOneD 96838 Specdb::NmrOneD 96839 Specdb::NmrOneD 96840 Specdb::NmrOneD 96841 Specdb::NmrOneD 96842 Specdb::NmrOneD 96843 Specdb::NmrOneD 96844 Specdb::NmrOneD 96845 Specdb::NmrOneD 96846 Specdb::NmrOneD 96847 Specdb::NmrOneD 96848 Specdb::NmrOneD 96849 Specdb::NmrOneD 96850 Specdb::NmrOneD 96851 Specdb::NmrOneD 96852 Specdb::NmrOneD 96853 Specdb::NmrOneD 96854 Specdb::NmrOneD 96855 Specdb::NmrOneD 96856 Specdb::NmrOneD 96857 Specdb::CMs 19444 Specdb::CMs 39890 Specdb::CMs 133566 Specdb::CMs 141300 35032427 FDB028905 25202447 C04421 165894 N-SUCCINYLLL-2-6-DIAMINOPIMELATE