methyl (2S)-2-[(3-ethanoylsulfanyl-5-phenyl-2-propan-2-yl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(3-ethanoylsulfanyl-5-phenyl-2-propan-2-yl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(3-acetylsulfanyl-2-isopropyl-5-phenyl-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[3-(acetylthio)-1-oxo-5-phenyl-2-propan-2-ylpentyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetylsulfanyl-5-phenyl-2-propan-2-ylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[3-(acetylthio)-2-isopropyl-5-phenyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CCC1=CC=CC=C1)SC(=O)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC

Isomeric SMILES

CC(C)C(C(CCC1=CC=CC=C1)SC(=O)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC

InChI

InChI=1S/C26H33NO5S/c1-17(2)24(23(33-18(3)28)15-12-19-8-6-5-7-9-19)25(30)27-22(26(31)32-4)16-20-10-13-21(29)14-11-20/h5-11,13-14,17,22-24,29H,12,15-16H2,1-4H3,(H,27,30)/t22-,23?,24?/m0/s1