2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-benzyloxy-propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-3-benzoxy-propionic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H27NO5S/c1-16(19-11-7-4-8-12-19)20(15-30-17(2)25)22(26)24-21(23(27)28)14-29-13-18-9-5-3-6-10-18/h3-12,16,20-21H,13-15H2,1-2H3,(H,24,26)(H,27,28)