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

Systemtic Name: 2-[1H-indol-5-ylmethyl-(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-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]propanoic acid CAS Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid IUPAC Name: 2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid Traditional Name: 3-tert-butoxy-2-[1H-indol-5-ylmethyl-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-amino]propionic acid Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)NC=C3)C(COC(C)(C)C)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)NC=C3)C(COC(C)(C)C)C(=O)O)C)C)OC

InChI

InChI=1S/C26H34N2O6S/c1-16-12-23(33-7)17(2)18(3)24(16)35(31,32)28(22(25(29)30)15-34-26(4,5)6)14-19-8-9-21-20(13-19)10-11-27-21/h8-13,22,27H,14-15H2,1-7H3,(H,29,30)