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

Systemtic Name: (3S)-3-(4-ethoxyphenyl)-3-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]propanoic acid Openeye Name: (3S)-3-(4-ethoxyphenyl)-3-[[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]amino]propanoic acid CAS Name: (3S)-3-(4-ethoxyphenyl)-3-[[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-ethoxyphenyl)-3-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]propanoic acid Traditional Name: (3S)-3-[[(2S)-2-phenyl-2-(phenylthio)acetyl]amino]-3-p-phenetyl-propionic acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S/c1-2-30-20-15-13-18(14-16-20)22(17-23(27)28)26-25(29)24(19-9-5-3-6-10-19)31-21-11-7-4-8-12-21/h3-16,22,24H,2,17H2,1H3,(H,26,29)(H,27,28)/t22-,24-/m0/s1