(2S)-2-methoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid

Systemtic Name: (2S)-2-methoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid Openeye Name: (2S)-2-methoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid CAS Name: (2S)-2-methoxy-3-[4-[3-(5-methylsulfonyloxy-1-indolyl)propylamino]phenyl]propanoic acid IUPAC Name: (2S)-2-methoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propanoic acid Traditional Name: (2S)-2-methoxy-3-[4-[3-(5-methylsulfonyloxyindol-1-yl)propylamino]phenyl]propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CO[C@@H](CC1=CC=C(C=C1)NCCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-29-21(22(25)26)14-16-4-6-18(7-5-16)23-11-3-12-24-13-10-17-15-19(8-9-20(17)24)30-31(2,27)28/h4-10,13,15,21,23H,3,11-12,14H2,1-2H3,(H,25,26)/t21-/m0/s1