(2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]propanoic acid Openeye Name: (2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]propanoic acid CAS Name: (2S)-2-[[(1R)-2-(tert-butylthio)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]propanoic acid Traditional Name: (2S)-2-[[(1R)-2-(tert-butylthio)-1-(4-methoxyphenyl)ethyl]amino]propionic acid Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3S/c1-11(15(18)19)17-14(10-21-16(2,3)4)12-6-8-13(20-5)9-7-12/h6-9,11,14,17H,10H2,1-5H3,(H,18,19)/t11-,14-/m0/s1