2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(p-tolylsulfonyl)indol-2-yl]propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-2-indolyl]propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]propanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-tosylindol-2-yl)propionic acid Formula: C30H34N2O6S MolecularWeight: 550.66576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2CC(C)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2CC(C)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C30H34N2O6S/c1-18-7-9-25(10-8-18)39(36,37)32-24(16-21-5-3-4-6-26(21)32)17-30(2,28(33)34)31-29(35)38-27-22-12-19-11-20(14-22)15-23(27)13-19/h3-10,16,19-20,22-23,27H,11-15,17H2,1-2H3,(H,31,35)(H,33,34)