(3S)-3-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: (3S)-3-(4-isopropoxyphenyl)-3-[[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]amino]propanoic acid CAS Name: (3S)-3-[[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: (3S)-3-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-isopropoxyphenyl)-3-[[(2S)-2-phenyl-2-(phenylthio)acetyl]amino]propionic acid Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H27NO4S/c1-18(2)31-21-15-13-19(14-16-21)23(17-24(28)29)27-26(30)25(20-9-5-3-6-10-20)32-22-11-7-4-8-12-22/h3-16,18,23,25H,17H2,1-2H3,(H,27,30)(H,28,29)/t23-,25-/m0/s1