1-[4-(butylamino)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(butylamino)-2-(ethanoylsulfanylmethyl)-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(acetylsulfanylmethyl)-4-(butylamino)-4-oxo-butyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(acetylthio)methyl]-4-(butylamino)-4-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(acetylsulfanylmethyl)-4-(butylamino)-4-oxobutyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(acetylthio)methyl]-4-(butylamino)-4-keto-butyl]proline Formula: C16H28N2O4S MolecularWeight: 344.46952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC(CN1CCCC1C(=O)O)CSC(=O)C

Isomeric SMILES

CCCCNC(=O)CC(CN1CCCC1C(=O)O)CSC(=O)C

InChI

InChI=1S/C16H28N2O4S/c1-3-4-7-17-15(20)9-13(11-23-12(2)19)10-18-8-5-6-14(18)16(21)22/h13-14H,3-11H2,1-2H3,(H,17,20)(H,21,22)