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

Systemtic Name: 2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-(4-methylphenyl)sulfonyl-piperidine-2-carboxylic acid Openeye Name: 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(p-tolylsulfonyl)piperidine-2-carboxylic acid CAS Name: 2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-(4-methylphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: 2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3-tosyl-pipecolinic acid Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CCCNC2(C(=O)C(CC3=CN=CN3)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CCCNC2(C(=O)C(CC3=CN=CN3)N)C(=O)O

InChI

InChI=1S/C19H24N4O5S/c1-12-4-6-14(7-5-12)29(27,28)16-3-2-8-23-19(16,18(25)26)17(24)15(20)9-13-10-21-11-22-13/h4-7,10-11,15-16,23H,2-3,8-9,20H2,1H3,(H,21,22)(H,25,26)