4-(2-azanylethylsulfanyl)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(2-azanylethylsulfanyl)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-(2-aminoethylsulfanyl)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-(2-aminoethylthio)-1-[3-[(4-methoxyphenyl)methylthio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(2-aminoethylsulfanyl)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-(2-aminoethylthio)-1-[2-methyl-3-(p-anisylthio)propanoyl]proline Formula: C19H28N2O4S2 MolecularWeight: 412.56662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=C(C=C1)OC)C(=O)N2CC(CC2C(=O)O)SCCN

Isomeric SMILES

CC(CSCC1=CC=C(C=C1)OC)C(=O)N2CC(CC2C(=O)O)SCCN

InChI

InChI=1S/C19H28N2O4S2/c1-13(11-26-12-14-3-5-15(25-2)6-4-14)18(22)21-10-16(27-8-7-20)9-17(21)19(23)24/h3-6,13,16-17H,7-12,20H2,1-2H3,(H,23,24)