3-[[2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-pentanoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-pentanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[(1-acetylindolin-5-yl)sulfonylamino]-4-methyl-pentanoyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-1-oxopentyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methylpentanoyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(1-acetylindolin-5-yl)sulfonylamino]-4-methyl-pentanoyl]amino]-4-methyl-benzoic acid Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CC(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(CC(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-14(2)11-21(23(29)25-20-13-18(24(30)31)6-5-15(20)3)26-34(32,33)19-7-8-22-17(12-19)9-10-27(22)16(4)28/h5-8,12-14,21,26H,9-11H2,1-4H3,(H,25,29)(H,30,31)