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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=C(C=C2)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=C(C=C2)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C21H30ClN3O5/c22-15-9-6-14(7-10-15)8-11-17(20(27)28)24-16(4-1-2-12-23)19(26)25-13-3-5-18(25)21(29)30/h6-7,9-10,16-18,24H,1-5,8,11-13,23H2,(H,27,28)(H,29,30)