1.0 2016-10-03 18:35:16 UTC 2020-04-22 15:49:23 UTC BMDB0012266 BMDB12266 N-Succinyl-2-amino-6-ketopimelate N-Succinyl-2-amino-6-oxo-L-pimelic acid N-Succinyl-epsilon-keto-L-aminopimelic acid N-Succinyl-L-2-amino-6-oxoheptanedioate N-Succinyl-L-2-amino-6-oxopimelate (S)-2-(Succinylamino)-6-oxoheptanedioate N-Succinyl-2-amino-6-oxo-L-pimelate N-Succinyl-epsilon-keto-L-aminopimelate N-Succinyl-L-2-amino-6-oxoheptanedioic acid N-Succinyl-L-2-amino-6-oxopimelic acid (S)-2-(Succinylamino)-6-oxoheptanedioic acid N-Succinyl-2-amino-6-ketopimelic acid (2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioate (2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acid L-2-succinylamino-6-Oxoheptanedioate L-2-succinylamino-6-Oxoheptanedioic acid N-Succinyl-2-L-amino-6-oxoheptanedioate N-Succinyl-2-L-amino-6-oxoheptanedioic acid Succinyl-epsilon-keto-alpha-aminopimelate C11H15NO8 289.2387 289.079766461 (2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid (2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1 SDVXSCSNVVZWDD-LURJTMIESA-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-hydroxy ketones Alpha-keto acids and derivatives Carboxylic acids Hydrocarbon derivatives N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-hydroxy ketone Alpha-keto acid Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Keto acid Ketone N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Tricarboxylic acid or derivatives Aliphatic acyclic compounds tricarboxylic acid Solid logp -0.78 ALOGPS logs -2.31 ALOGPS logp -0.55 ChemAxon pka_strongest_acidic 2.78 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid ChemAxon average_mass 289.2387 ChemAxon mono_mass 289.079766461 ChemAxon smiles OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O ChemAxon formula C11H15NO8 ChemAxon inchi InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1 ChemAxon inchikey SDVXSCSNVVZWDD-LURJTMIESA-N ChemAxon polar_surface_area 158.07 ChemAxon refractivity 61.57 ChemAxon polarizability 25.89 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -3 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::CMs 22403 Specdb::CMs 39889 Specdb::CMs 160574 Specdb::NmrOneD 96818 Specdb::NmrOneD 96819 Specdb::NmrOneD 96820 Specdb::NmrOneD 96821 Specdb::NmrOneD 96822 Specdb::NmrOneD 96823 Specdb::NmrOneD 96824 Specdb::NmrOneD 96825 Specdb::NmrOneD 96826 Specdb::NmrOneD 96827 Specdb::NmrOneD 96828 Specdb::NmrOneD 96829 Specdb::NmrOneD 96830 Specdb::NmrOneD 96831 Specdb::NmrOneD 96832 Specdb::NmrOneD 96833 Specdb::NmrOneD 96834 Specdb::NmrOneD 96835 Specdb::NmrOneD 96836 Specdb::NmrOneD 96837 Specdb::MsMs 26825 Specdb::MsMs 26826 Specdb::MsMs 26827 Specdb::MsMs 33383 Specdb::MsMs 33384 Specdb::MsMs 33385 Specdb::MsMs 2421024 Specdb::MsMs 2421025 Specdb::MsMs 2421026 Specdb::MsMs 2544595 Specdb::MsMs 2544596 Specdb::MsMs 2544597 389314 FDB028904 440349 C04462 35266 C00007598 N-SUCCINYL-2-AMINO-6-KETOPIMELATE