methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-(4-thiophen-2-ylcarbonylphenyl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-(4-thiophen-2-ylcarbonylphenyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanoyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-[4-(thiophene-2-carbonyl)phenyl]propanoyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-2-[4-(2-thenoyl)phenyl]propanoyl]amino]propionic acid methyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C25H25NO5S/c1-25(2,18-10-8-17(9-11-18)22(28)21-5-4-14-32-21)24(30)26-20(23(29)31-3)15-16-6-12-19(27)13-7-16/h4-14,20,27H,15H2,1-3H3,(H,26,30)/t20-/m0/s1