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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C1C(=O)CCC2=CC=C(C=C2)N)(C(=O)O)S)C(=O)CN)C3=CC=CC=C3

Isomeric SMILES

C1C(N(C(C1C(=O)CCC2=CC=C(C=C2)N)(C(=O)O)S)C(=O)CN)C3=CC=CC=C3

InChI

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