2-(butan-2-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(butan-2-ylsulfonylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(sec-butylsulfonylamino)propanoic acid CAS Name: 2-(butan-2-ylsulfonylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(butan-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(sec-butylsulfonylamino)propionic acid Formula: C14H21NO4S2 MolecularWeight: 331.45084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S2/c1-3-11(2)21(18,19)15-13(14(16)17)10-20-9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3,(H,16,17)