(2S)-2-[(2-tert-butylsulfanyl-1-phenyl-ethoxy)carbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-[(2-tert-butylsulfanyl-1-phenyl-ethoxy)carbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-tert-butoxy-2-[(2-tert-butylsulfanyl-1-phenyl-ethoxy)carbonylamino]-4-oxo-butanoic acid CAS Name: (2S)-2-[[[2-(tert-butylthio)-1-phenylethoxy]-oxomethyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid IUPAC Name: (2S)-2-[(2-tert-butylsulfanyl-1-phenylethoxy)carbonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid Traditional Name: (2S)-4-tert-butoxy-2-[[2-(tert-butylthio)-1-phenyl-ethoxy]carbonylamino]-4-keto-butyric acid Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)O)NC(=O)OC(CSC(C)(C)C)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OC(CSC(C)(C)C)C1=CC=CC=C1

InChI

InChI=1S/C21H31NO6S/c1-20(2,3)28-17(23)12-15(18(24)25)22-19(26)27-16(13-29-21(4,5)6)14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3,(H,22,26)(H,24,25)/t15-,16?/m0/s1