1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-tosyl-proline Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCN2C(=O)C(CC3=CN=CN3)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCN2C(=O)C(CC3=CN=CN3)N)C(=O)O

InChI

InChI=1S/C18H22N4O5S/c1-12-3-5-14(6-4-12)28(26,27)18(17(24)25)7-2-8-22(18)16(23)15(19)9-13-10-20-11-21-13/h3-6,10-11,15H,2,7-9,19H2,1H3,(H,20,21)(H,24,25)