(phenylmethyl) (2S)-3-(4-acetyloxyphenyl)-2-[[2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)-3-methyl-butanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(4-acetyloxyphenyl)-2-[[2-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)-3-methyl-butanoyl]amino]propanoate Openeye Name: benzyl (2S)-3-(4-acetoxyphenyl)-2-[[2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)-3-methyl-butanoyl]amino]propanoate CAS Name: (2S)-3-(4-acetyloxyphenyl)-2-[[2-[(acetylthio)methyl]-4-(4-methoxyphenyl)-3-methyl-1-oxobutyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(4-acetyloxyphenyl)-2-[[2-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)-3-methylbutanoyl]amino]propanoate Traditional Name: (2S)-3-(4-acetoxyphenyl)-2-[[2-[(acetylthio)methyl]-4-(4-methoxyphenyl)-3-methyl-butanoyl]amino]propionic acid benzyl ester Formula: C33H37NO7S MolecularWeight: 591.71438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)C(CSC(=O)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OC(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H37NO7S/c1-22(18-25-10-14-28(39-4)15-11-25)30(21-42-24(3)36)32(37)34-31(33(38)40-20-27-8-6-5-7-9-27)19-26-12-16-29(17-13-26)41-23(2)35/h5-17,22,30-31H,18-21H2,1-4H3,(H,34,37)/t22?,30?,31-/m0/s1