3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 3-[4-(benzenesulfonyloxy)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(benzenesulfonyloxy)-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(benzenesulfonyloxy)-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-besyloxy-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)OS(=O)(=O)C3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C27H29NO6S/c1-19(2)17-25(21-9-5-3-6-10-21)28-27(31)24-18-22(15-13-20(24)14-16-26(29)30)34-35(32,33)23-11-7-4-8-12-23/h3-13,15,18-19,25H,14,16-17H2,1-2H3,(H,28,31)(H,29,30)