4-azanyl-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-4-keto-butyric acid Formula: C13H15BrN2O4S MolecularWeight: 375.2382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC(=O)N)C(=O)O

InChI

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