3-(2-azanyl-3-oxidanyl-butanoyl)-1-(2-azanyl-3-phenyl-propanoyl)-2-tert-butyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(2-azanyl-3-oxidanyl-butanoyl)-1-(2-azanyl-3-phenyl-propanoyl)-2-tert-butyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(2-amino-3-hydroxy-butanoyl)-1-(2-amino-3-phenyl-propanoyl)-2-tert-butyl-pyrrolidine-2-carboxylic acid CAS Name: 3-(2-amino-3-hydroxy-1-oxobutyl)-1-(2-amino-1-oxo-3-phenylpropyl)-2-tert-butyl-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(2-amino-3-hydroxybutanoyl)-1-(2-amino-3-phenylpropanoyl)-2-tert-butylpyrrolidine-2-carboxylic acid Traditional Name: 3-(2-amino-3-hydroxy-butanoyl)-2-tert-butyl-1-phenylalanyl-proline Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1CCN(C1(C(=O)O)C(C)(C)C)C(=O)C(CC2=CC=CC=C2)N)N)O

Isomeric SMILES

CC(C(C(=O)C1CCN(C1(C(=O)O)C(C)(C)C)C(=O)C(CC2=CC=CC=C2)N)N)O

InChI

InChI=1S/C22H33N3O5/c1-13(26)17(24)18(27)15-10-11-25(22(15,20(29)30)21(2,3)4)19(28)16(23)12-14-8-6-5-7-9-14/h5-9,13,15-17,26H,10-12,23-24H2,1-4H3,(H,29,30)