2-(2,2-dimethylpropanoylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(2,2-dimethylpropanoylamino)propanoic acid CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(2,2-dimethylpropanoylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(pivaloylamino)propionic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-15(2,3)14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)