methyl 3-phenylmethoxy-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate

Systemtic Name: methyl 3-phenylmethoxy-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-benzyloxy-propanoate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-phenylmethoxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 3-benzoxy-2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]propionic acid methyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(COCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3

InChI

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