2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3,3-diphenyl-propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3,3-diphenyl-propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3,3-diphenyl-propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3,3-diphenylpropanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3,3-diphenylpropanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3,3-diphenyl-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(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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