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

Systemtic Name: (phenylmethyl) 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-2-tosyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCN2C(=O)C(CC3=CN=CN3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5S/c1-18-8-10-21(11-9-18)35(32,33)25(24(31)34-16-19-6-3-2-4-7-19)12-5-13-29(25)23(30)22(26)14-20-15-27-17-28-20/h2-4,6-11,15,17,22H,5,12-14,16,26H2,1H3,(H,27,28)