2-azanyl-1-(3-methyl-2-sulfanyl-butanoyl)-3-(3-phenylmethoxybutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-azanyl-1-(3-methyl-2-sulfanyl-butanoyl)-3-(3-phenylmethoxybutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 2-amino-3-(3-benzyloxybutanoyl)-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carboxylic acid CAS Name: 2-amino-1-(2-mercapto-3-methyl-1-oxobutyl)-3-(1-oxo-3-phenylmethoxybutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 2-amino-1-(3-methyl-2-sulfanylbutanoyl)-3-(3-phenylmethoxybutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 2-amino-3-(3-benzoxybutanoyl)-1-(2-mercapto-3-methyl-butanoyl)proline Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(C1(C(=O)O)N)C(=O)CC(C)OCC2=CC=CC=C2)S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(C1(C(=O)O)N)C(=O)CC(C)OCC2=CC=CC=C2)S

InChI

InChI=1S/C21H30N2O5S/c1-13(2)18(29)19(25)23-10-9-16(21(23,22)20(26)27)17(24)11-14(3)28-12-15-7-5-4-6-8-15/h4-8,13-14,16,18,29H,9-12,22H2,1-3H3,(H,26,27)