(2S)-2-[2-(2,4-ditert-butylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(2,4-ditert-butylphenoxy)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(2,4-ditert-butylphenoxy)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]-4-(methylthio)butyrate Formula: C21H32NO4S- MolecularWeight: 394.54808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC(CCSC)C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N[C@@H](CCSC)C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C21H33NO4S/c1-20(2,3)14-8-9-17(15(12-14)21(4,5)6)26-13-18(23)22-16(19(24)25)10-11-27-7/h8-9,12,16H,10-11,13H2,1-7H3,(H,22,23)(H,24,25)/p-1/t16-/m0/s1