methyl (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]propanoate

Systemtic Name: methyl (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]propanoate Openeye Name: methyl (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(p-tolylsulfonyl)indol-2-yl]propanoate CAS Name: (2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-[1-(4-methylphenyl)sulfonyl-2-indolyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-[1-(4-methylphenyl)sulfonylindol-2-yl]propanoate Traditional Name: (2S)-2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-tosylindol-2-yl)propionic acid methyl ester Formula: C31H36N2O6S MolecularWeight: 564.69234

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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)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C[C@@](C)(C(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H36N2O6S/c1-19-8-10-26(11-9-19)40(36,37)33-25(17-22-6-4-5-7-27(22)33)18-31(2,29(34)38-3)32-30(35)39-28-23-13-20-12-21(15-23)16-24(28)14-20/h4-11,17,20-21,23-24,28H,12-16,18H2,1-3H3,(H,32,35)/t20?,21?,23?,24?,28?,31-/m0/s1