2-[[(2S)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindol-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindol-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonylindoline-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[(2S)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindol-2-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[(2S)-1-(4-acetamidophenyl)sulfonylindoline-2-carbonyl]amino]-4-methyl-valeric acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)[C@@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C23H27N3O6S/c1-14(2)12-19(23(29)30)25-22(28)21-13-16-6-4-5-7-20(16)26(21)33(31,32)18-10-8-17(9-11-18)24-15(3)27/h4-11,14,19,21H,12-13H2,1-3H3,(H,24,27)(H,25,28)(H,29,30)/t19?,21-/m0/s1