2-[[1H-indol-5-yl(2-trimethylsilylethylsulfonyl)methyl]-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid

Systemtic Name: 2-[[1H-indol-5-yl(2-trimethylsilylethylsulfonyl)methyl]-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid Openeye Name: 3-tert-butoxy-2-[[1H-indol-5-yl(2-trimethylsilylethylsulfonyl)methyl]-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]propanoic acid CAS Name: 2-[[1H-indol-5-yl(2-trimethylsilylethylsulfonyl)methyl]-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid IUPAC Name: 2-[[1H-indol-5-yl(2-trimethylsilylethylsulfonyl)methyl]-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid Traditional Name: 3-tert-butoxy-2-[[1H-indol-5-yl(2-trimethylsilylethylsulfonyl)methyl]-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]propionic acid Formula: C31H46N2O8S2Si MolecularWeight: 666.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(C(COC(C)(C)C)C(=O)O)C(C2=CC3=C(C=C2)NC=C3)S(=O)(=O)CC[Si](C)(C)C)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(C(COC(C)(C)C)C(=O)O)C(C2=CC3=C(C=C2)NC=C3)S(=O)(=O)CC[Si](C)(C)C)C)C)OC

InChI

InChI=1S/C31H46N2O8S2Si/c1-20-17-27(40-7)21(2)22(3)28(20)43(38,39)33(26(30(34)35)19-41-31(4,5)6)29(42(36,37)15-16-44(8,9)10)24-11-12-25-23(18-24)13-14-32-25/h11-14,17-18,26,29,32H,15-16,19H2,1-10H3,(H,34,35)