1-[2-[[3-(4-aminophenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[3-(4-aminophenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-(4-aminophenyl)-2-sulfanyl-propanoyl]amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-(4-aminophenyl)-2-mercapto-1-oxopropyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-(4-aminophenyl)-2-sulfanylpropanoyl]amino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-(4-aminophenyl)-2-mercapto-propanoyl]amino]acetyl]-5-phenyl-proline Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=C(C=C3)N)S)C(=O)O

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CC3=CC=C(C=C3)N)S)C(=O)O

InChI

InChI=1S/C22H25N3O4S/c23-16-8-6-14(7-9-16)12-19(30)21(27)24-13-20(26)25-17(10-11-18(25)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,30H,10-13,23H2,(H,24,27)(H,28,29)