2-(2-azanylpropanoyl)-1-(3-hexylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-(3-hexylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(hexylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-(hexylthio)-1-hydroxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(3-hexylsulfanyl-1-hydroxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(hexylthio)methyl]-2-hydroxy-2-keto-ethyl]proline Formula: C17H30N2O5S MolecularWeight: 374.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)O)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCCSCC(C(=O)O)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C17H30N2O5S/c1-3-4-5-6-10-25-11-13(15(21)22)19-9-7-8-17(19,16(23)24)14(20)12(2)18/h12-13H,3-11,18H2,1-2H3,(H,21,22)(H,23,24)