1.0 2020-03-03 19:21:03 UTC 2020-04-22 15:54:56 UTC BMDB0063758 BMDB63758 Alanylmethionine AM L-Ala-L-met Copoly(alanine, methionine) Poly(ala, met) Copoly(L-alanine, L-methionine) a-m Dipeptide AM dipeptide Ala-met Alanine methionine dipeptide Alanine-methionine dipeptide Alanyl-methionine L-Alanyl-L-methionine N-Alanylmethionine N-L-Alanyl-L-methionine L-Alanyl-L-methionine hemihydrate Alanylmethionine C8H16N2O3S 220.29 220.088163557 (2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanoic acid (2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanoic acid 14486-05-6 CSCC[C@H](NC(=O)[C@H](C)N)C(O)=O InChI=1S/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1 FSHURBQASBLAPO-WDSKDSINSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Amino acids Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Thia fatty acids Aliphatic acyclic compound Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Dialkylthioether Fatty acid Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Sulfenyl compound Thia fatty acid Thioether Aliphatic acyclic compounds dipeptide logp -1.33 ALOGPS logs -1.26 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 3.8 ChemAxon pka_strongest_basic 8.39 ChemAxon iupac (2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 220.29 ChemAxon mono_mass 220.088163557 ChemAxon smiles CSCC[C@H](NC(=O)[C@H](C)N)C(O)=O ChemAxon formula C8H16N2O3S ChemAxon inchi InChI=1S/C8H16N2O3S/c1-5(9)7(11)10-6(8(12)13)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1 ChemAxon inchikey FSHURBQASBLAPO-WDSKDSINSA-N ChemAxon polar_surface_area 92.42 ChemAxon refractivity 54.88 ChemAxon polarizability 22.6 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 135884 Specdb::CMs 143618 Specdb::MsMs 1221085 Specdb::MsMs 1221086 Specdb::MsMs 1221087 Specdb::MsMs 1336759 Specdb::MsMs 1336760 Specdb::MsMs 1336761 Specdb::MsMs 3222802 Specdb::MsMs 3222803 Specdb::MsMs 3222804 Specdb::MsMs 3222805 Specdb::MsMs 3222806 Specdb::MsMs 3222807 Specdb::NmrOneD 13262 Specdb::NmrOneD 13263 Specdb::NmrOneD 13264 Specdb::NmrOneD 13265 Specdb::NmrOneD 13266 Specdb::NmrOneD 13267 Specdb::NmrOneD 13268 Specdb::NmrOneD 13269 Specdb::NmrOneD 13270 Specdb::NmrOneD 13271 Specdb::NmrOneD 13272 Specdb::NmrOneD 13273 Specdb::NmrOneD 13274 Specdb::NmrOneD 13275 Specdb::NmrOneD 13276 Specdb::NmrOneD 13277 Specdb::NmrOneD 13278 Specdb::NmrOneD 13279 Specdb::NmrOneD 13280 Specdb::NmrOneD 13281 FDB111752 77335 85744 73806