methyl (2S)-2-[[3-ethanoylsulfanyl-5-methyl-2-(phenylmethyl)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[3-ethanoylsulfanyl-5-methyl-2-(phenylmethyl)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[(3-acetylsulfanyl-2-benzyl-5-methyl-hexanoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[3-(acetylthio)-5-methyl-1-oxo-2-(phenylmethyl)hexyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-acetylsulfanyl-2-benzyl-5-methylhexanoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[3-(acetylthio)-2-benzyl-5-methyl-hexanoyl]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)CC(C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC)SC(=O)C

Isomeric SMILES

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

InChI

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