1-[6-azanyl-2-[[4-(2-chlorophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[[4-(2-chlorophenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[1-carboxy-3-(2-chlorophenyl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[4-(2-chlorophenyl)-1-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[[4-(2-chlorophenyl)-1-hydroxy-1-oxobutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[1-carboxy-3-(2-chlorophenyl)propyl]amino]hexanoyl]proline Formula: C21H30ClN3O5 MolecularWeight: 439.933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C21H30ClN3O5/c22-15-7-2-1-6-14(15)10-11-17(20(27)28)24-16(8-3-4-12-23)19(26)25-13-5-9-18(25)21(29)30/h1-2,6-7,16-18,24H,3-5,8-13,23H2,(H,27,28)(H,29,30)