2-azanyl-3-(3-methoxybutanoyl)-1-(3-methyl-2-sulfanyl-pentanoyl)-3-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-3-(3-methoxybutanoyl)-1-(3-methyl-2-sulfanyl-pentanoyl)-3-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-amino-3-hydroxy-3-(3-methoxybutanoyl)-1-(3-methyl-2-sulfanyl-pentanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-amino-3-hydroxy-1-(2-mercapto-3-methyl-1-oxopentyl)-3-(3-methoxy-1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-amino-3-hydroxy-3-(3-methoxybutanoyl)-1-(3-methyl-2-sulfanylpentanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-amino-3-hydroxy-1-(2-mercapto-3-methyl-pentanoyl)-3-(3-methoxybutanoyl)proline Formula: C16H28N2O6S MolecularWeight: 376.46832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(C1(C(=O)O)N)(C(=O)CC(C)OC)O)S

Isomeric SMILES

CCC(C)C(C(=O)N1CCC(C1(C(=O)O)N)(C(=O)CC(C)OC)O)S

InChI

InChI=1S/C16H28N2O6S/c1-5-9(2)12(25)13(20)18-7-6-15(23,16(18,17)14(21)22)11(19)8-10(3)24-4/h9-10,12,23,25H,5-8,17H2,1-4H3,(H,21,22)