2-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]acetyl]amino]acetic acid Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H15BrN2O4S/c1-8-4-9(14)2-3-10(8)21-7-12(18)15-5-11(17)16-6-13(19)20/h2-4H,5-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)