2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-benzyloxyphenyl)propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(4-benzoxyphenyl)propionic acid Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H29NO5S/c1-20(30)35-19-24(16-21-8-4-2-5-9-21)27(31)29-26(28(32)33)17-22-12-14-25(15-13-22)34-18-23-10-6-3-7-11-23/h2-15,24,26H,16-19H2,1H3,(H,29,31)(H,32,33)