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

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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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)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4S/c1-19(29)33-18-24(16-20-8-4-2-5-9-20)26(30)28-25(27(31)32)17-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,24-25H,16-18H2,1H3,(H,28,30)(H,31,32)