1-[6-azanyl-2-[(4-oxidanyl-4-oxidanylidene-3-phenyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[(4-oxidanyl-4-oxidanylidene-3-phenyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[(4-hydroxy-4-oxo-3-phenyl-butyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[(4-hydroxy-4-oxo-3-phenylbutyl)amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[(4-hydroxy-4-oxo-3-phenylbutyl)amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[(4-hydroxy-4-keto-3-phenyl-butyl)amino]hexanoyl]proline Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NCCC(C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NCCC(C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H31N3O5/c22-12-5-4-9-17(19(25)24-14-6-10-18(24)21(28)29)23-13-11-16(20(26)27)15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)