methylsulfanylmethyl 3-(3-chloranyl-4-methoxy-phenyl)-2-[[(E)-8-methoxy-6-methyl-5-oxidanyl-8-phenyl-oct-2-enoyl]amino]propanoate

Systemtic Name: methylsulfanylmethyl 3-(3-chloranyl-4-methoxy-phenyl)-2-[[(E)-8-methoxy-6-methyl-5-oxidanyl-8-phenyl-oct-2-enoyl]amino]propanoate Openeye Name: methylsulfanylmethyl 3-(3-chloro-4-methoxy-phenyl)-2-[[(E)-5-hydroxy-8-methoxy-6-methyl-8-phenyl-oct-2-enoyl]amino]propanoate CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[[(E)-5-hydroxy-8-methoxy-6-methyl-1-oxo-8-phenyloct-2-enyl]amino]propanoic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl 3-(3-chloro-4-methoxyphenyl)-2-[[(E)-5-hydroxy-8-methoxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoate Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[[(E)-5-hydroxy-8-methoxy-6-methyl-8-phenyl-oct-2-enoyl]amino]propionic acid (methylthio)methyl ester Formula: C28H36ClNO6S MolecularWeight: 550.10654

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=CC=C1)OC)C(CC=CC(=O)NC(CC2=CC(=C(C=C2)OC)Cl)C(=O)OCSC)O

Isomeric SMILES

CC(CC(C1=CC=CC=C1)OC)C(C/C=C/C(=O)NC(CC2=CC(=C(C=C2)OC)Cl)C(=O)OCSC)O

InChI

InChI=1S/C28H36ClNO6S/c1-19(15-26(35-3)21-9-6-5-7-10-21)24(31)11-8-12-27(32)30-23(28(33)36-18-37-4)17-20-13-14-25(34-2)22(29)16-20/h5-10,12-14,16,19,23-24,26,31H,11,15,17-18H2,1-4H3,(H,30,32)/b12-8+