(2S,4R)-1-(3-ethanoylsulfanylpropanoyl)-5-oxidanylidene-4-(phenylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(3-ethanoylsulfanylpropanoyl)-5-oxidanylidene-4-(phenylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(3-acetylsulfanylpropanoyl)-4-benzyl-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[3-(acetylthio)-1-oxopropyl]-5-oxo-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(3-acetylsulfanylpropanoyl)-4-benzyl-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[3-(acetylthio)propanoyl]-4-benzyl-5-keto-proline Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CC(C1=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1[C@@H](C[C@H](C1=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H19NO5S/c1-11(19)24-8-7-15(20)18-14(17(22)23)10-13(16(18)21)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,22,23)/t13-,14+/m1/s1