1-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[(4-tert-butylphenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-thiazolyl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-[(4-tert-butylbenzoyl)amino]-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-[(4-tert-butylbenzoyl)amino]thiazol-4-yl]acetyl]proline Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)14-8-6-13(7-9-14)18(26)23-20-22-15(12-29-20)11-17(25)24-10-4-5-16(24)19(27)28/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,27,28)(H,22,23,26)