(2S)-2-[2-(4-tert-butylphenyl)ethanethioylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(4-tert-butylphenyl)ethanethioylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(4-tert-butylphenyl)ethanethioyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(4-tert-butylphenyl)-1-sulfanylideneethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(4-tert-butylphenyl)ethanethioyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(4-tert-butylphenyl)thioacetyl]amino]-3-phenyl-propionic acid Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC(=S)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC(=S)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO2S/c1-21(2,3)17-11-9-16(10-12-17)14-19(25)22-18(20(23)24)13-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1