(3S)-3-(4-tert-butylphenyl)-3-(2-phenylsulfanylethanoylamino)propanoic acid

Systemtic Name: (3S)-3-(4-tert-butylphenyl)-3-(2-phenylsulfanylethanoylamino)propanoic acid Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-[(2-phenylsulfanylacetyl)amino]propanoic acid CAS Name: (3S)-3-(4-tert-butylphenyl)-3-[[1-oxo-2-(phenylthio)ethyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-[(2-phenylsulfanylacetyl)amino]propanoic acid Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-[[2-(phenylthio)acetyl]amino]propionic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)16-11-9-15(10-12-16)18(13-20(24)25)22-19(23)14-26-17-7-5-4-6-8-17/h4-12,18H,13-14H2,1-3H3,(H,22,23)(H,24,25)/t18-/m0/s1