2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-3-hydroxy-propionic acid Formula: C13H16BrNO4S MolecularWeight: 362.23944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H16BrNO4S/c1-7-4-11(8(2)3-9(7)14)20-6-12(17)15-10(5-16)13(18)19/h3-4,10,16H,5-6H2,1-2H3,(H,15,17)(H,18,19)