1.0 2020-03-03 19:38:36 UTC 2020-04-22 15:56:51 UTC BMDB0064063 BMDB64063 Serylserine H-L-Ser-L-ser-OH H-Ser-ser-OH L-Ser-L-ser S-S SS (2S)-2-{[(2S)-2-amino-1,3-dihydroxypropylidene]amino}-3-hydroxypropanoate L-Seryl-L-serine N-L-Seryl-L-serine N-Serylserine S-S Dipeptide SS Dipeptide Ser-ser Serine serine dipeptide Serine-serine dipeptide Serinyl-serine Serinylserine Seryl-serine Serylserine C6H12N2O5 192.171 192.074621494 (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanoic acid L-serine, N-L-seryl- 6620-95-7 N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1 XZKQVQKUZMAADP-IMJSIDKUSA-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 Alpha amino acid amides Amino acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-L-alpha-amino acids Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols Secondary carboxylic acid amides Serine and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid amide Alpha-amino acid or derivatives Alpha-dipeptide Amine Amino acid Amino acid or derivatives Beta-hydroxy acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary aliphatic amine Primary amine Secondary carboxylic acid amide Serine or derivatives Aliphatic acyclic compounds dipeptide logp -3.40 ALOGPS logs -0.33 ALOGPS logp -5.5 ChemAxon pka_strongest_acidic 3.3 ChemAxon pka_strongest_basic 7.85 ChemAxon iupac (2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanoic acid ChemAxon average_mass 192.171 ChemAxon mono_mass 192.074621494 ChemAxon smiles N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O ChemAxon formula C6H12N2O5 ChemAxon inchi InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1 ChemAxon inchikey XZKQVQKUZMAADP-IMJSIDKUSA-N ChemAxon polar_surface_area 132.88 ChemAxon refractivity 40.88 ChemAxon polarizability 17.59 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 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::CMs 165917 Specdb::MsMs 1321504 Specdb::MsMs 1321505 Specdb::MsMs 1321506 Specdb::MsMs 1435909 Specdb::MsMs 1435910 Specdb::MsMs 1435911 Specdb::MsMs 2413393 Specdb::MsMs 2413394 Specdb::MsMs 2413395 Specdb::MsMs 2552291 Specdb::MsMs 2552292 Specdb::MsMs 2552293 Specdb::NmrOneD 14662 Specdb::NmrOneD 14663 Specdb::NmrOneD 14664 Specdb::NmrOneD 14665 Specdb::NmrOneD 14666 Specdb::NmrOneD 14667 Specdb::NmrOneD 14668 Specdb::NmrOneD 14669 Specdb::NmrOneD 14670 Specdb::NmrOneD 14671 Specdb::NmrOneD 14672 Specdb::NmrOneD 14673 Specdb::NmrOneD 14674 Specdb::NmrOneD 14675 Specdb::NmrOneD 14676 Specdb::NmrOneD 14677 Specdb::NmrOneD 14678 Specdb::NmrOneD 14679 Specdb::NmrOneD 14680 Specdb::NmrOneD 14681 FDB112055 5382072 7019104 73653