1-[4-methyl-2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-methyl-2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[(E)-3-besylacryloyl]amino]-4-methyl-pentanoyl]proline Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)C=CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)/C=C/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H26N2O6S/c1-14(2)13-16(19(24)22-11-6-9-17(22)20(25)26)21-18(23)10-12-29(27,28)15-7-4-3-5-8-15/h3-5,7-8,10,12,14,16-17H,6,9,11,13H2,1-2H3,(H,21,23)(H,25,26)/b12-10+