1-(2-azanyl-3-phenyl-propanoyl)-3-butylsulfonyl-2-(carboxymethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-3-butylsulfonyl-2-(carboxymethyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-3-butylsulfonyl-2-(carboxymethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-3-butylsulfonyl-2-(carboxymethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-3-butylsulfonyl-2-(carboxymethyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-butylsulfonyl-2-(carboxymethyl)-1-phenylalanyl-proline Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7S/c1-2-3-11-30(28,29)16-9-10-22(20(16,19(26)27)13-17(23)24)18(25)15(21)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13,21H2,1H3,(H,23,24)(H,26,27)