3-[[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]disulfanyl]propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]disulfanyl]propanoic acid Openeye Name: 3-[[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]disulfanyl]propanoic acid CAS Name: 3-[[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-pyrrolidinyl]disulfanyl]propanoic acid IUPAC Name: 3-[[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-2-yl]disulfanyl]propanoic acid Traditional Name: 3-[[5-keto-1-(4-phenoxybenzyl)pyrrolidin-2-yl]disulfanyl]propionic acid Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1SSCCC(=O)O)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1SSCCC(=O)O)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S2/c22-18-10-11-19(27-26-13-12-20(23)24)21(18)14-15-6-8-17(9-7-15)25-16-4-2-1-3-5-16/h1-9,19H,10-14H2,(H,23,24)