1.02019-10-16 14:35:41 UTC2019-10-16 14:35:41 UTCFDB093739N-Acetyl-S-methylcysteineC6H11NO3S177.22177.045964392(2R)-2-[(1-hydroxyethylidene)amino]-3-(methylsulfanyl)propanoic acid(2R)-2-[(1-hydroxyethylidene)amino]-3-(methylsulfanyl)propanoic acid[H][C@@](CSC)(N=C(C)O)C(O)=OInChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1RYGLCORNOFFGTB-YFKPBYRVSA-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.N-acyl-L-alpha-amino acidsOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analoguesAliphatic acyclic compoundsAcetamidesCarbonyl compoundsCarboxylic acidsCysteine and derivativesDialkylthioethersFatty acids and conjugatesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOrganonitrogen compoundsSecondary carboxylic acid amidesSulfenyl compoundsAcetamideAliphatic acyclic compoundCarbonyl groupCarboxamide groupCarboxylic acidCysteine or derivativesDialkylthioetherFatty acidHydrocarbon derivativeMonocarboxylic acid or derivativesN-acyl-l-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganosulfur compoundSecondary carboxylic acid amideSulfenyl compoundThioetherlogp-0.07logs-1.33solubility8.23e+00 g/llogp0.5pka_strongest_acidic3.95pka_strongest_basic1.13iupac(2R)-2-[(1-hydroxyethylidene)amino]-3-(methylsulfanyl)propanoic acidaverage_mass177.22mono_mass177.045964392smiles[H][C@@](CSC)(N=C(C)O)C(O)=OformulaC6H11NO3SinchiInChI=1S/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1inchikeyRYGLCORNOFFGTB-YFKPBYRVSA-Npolar_surface_area69.89refractivity42.84polarizability17.6rotatable_bond_count4acceptor_count4donor_count2physiological_charge-1formal_charge0Specdb::CMs133674Specdb::CMs141408Specdb::MsMs2768702Specdb::MsMs2768703Specdb::MsMs2768704Specdb::MsMs2914070Specdb::MsMs2914071Specdb::MsMs2914072Specdb::NmrOneD75292Specdb::NmrOneD75293Specdb::NmrOneD75294Specdb::NmrOneD75295Specdb::NmrOneD75296Specdb::NmrOneD75297Specdb::NmrOneD75298Specdb::NmrOneD75299Specdb::NmrOneD75300Specdb::NmrOneD75301Specdb::NmrOneD75302Specdb::NmrOneD75303Specdb::NmrOneD75304Specdb::NmrOneD75305Specdb::NmrOneD75306Specdb::NmrOneD75307Specdb::NmrOneD75308Specdb::NmrOneD75309Specdb::NmrOneD75310Specdb::NmrOneD75311FOBI:030679