2-(tert-butylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(tert-butylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(tert-butylamino)propanoic acid CAS Name: 2-(tert-butylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(tert-butylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(tert-butylamino)propionic acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H21NO2S/c1-14(2,3)15-12(13(16)17)10-18-9-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,16,17)