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

Systemtic Name: methyl (2S)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2S)-3-[1-(4-methylphenyl)sulfonyl-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-tosylindol-3-yl)propionic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H28N2O6S/c1-16-10-12-18(13-11-16)33(29,30)26-15-17(19-8-6-7-9-21(19)26)14-20(22(27)31-5)25-23(28)32-24(2,3)4/h6-13,15,20H,14H2,1-5H3,(H,25,28)/t20-/m0/s1