tert-butyl (2S)-3-[6-iodanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-3-[6-iodanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-(tert-butoxycarbonylamino)-3-[6-iodo-1-(p-tolylsulfonyl)indol-3-yl]propanoate CAS Name: (2S)-3-[6-iodo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[6-iodo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(6-iodo-1-tosyl-indol-3-yl)propionic acid tert-butyl ester Formula: C27H33IN2O6S MolecularWeight: 640.53019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)I)CC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)I)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H33IN2O6S/c1-17-8-11-20(12-9-17)37(33,34)30-16-18(21-13-10-19(28)15-23(21)30)14-22(24(31)35-26(2,3)4)29-25(32)36-27(5,6)7/h8-13,15-16,22H,14H2,1-7H3,(H,29,32)/t22-/m0/s1