2-azanyl-4-methylsulfanyl-butanoic acid; 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 1-benzyloxycarbonylpyrrolidine-2-carboxylic acid CAS Name: 2-amino-4-(methylthio)butanoic acid; 1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 1-carbobenzoxyproline Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)N.C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H15NO4.C5H11NO2S/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;1-9-3-2-4(6)5(7)8/h1-3,5-6,11H,4,7-9H2,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)