2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[(2S)-1-(4-acetamidophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonylprolyl]amino]-4-methyl-valeric acid Formula: C19H27N3O6S MolecularWeight: 425.49918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H27N3O6S/c1-12(2)11-16(19(25)26)21-18(24)17-5-4-10-22(17)29(27,28)15-8-6-14(7-9-15)20-13(3)23/h6-9,12,16-17H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)/t16?,17-/m0/s1