2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]-3-hydroxy-butyric acid Formula: C20H17BrN4O4S MolecularWeight: 489.34238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CSC1=NC=C(N1C2=CC=C(C3=CC=CC=C32)C#N)Br)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CSC1=NC=C(N1C2=CC=C(C3=CC=CC=C32)C#N)Br)O

InChI

InChI=1S/C20H17BrN4O4S/c1-11(26)18(19(28)29)24-17(27)10-30-20-23-9-16(21)25(20)15-7-6-12(8-22)13-4-2-3-5-14(13)15/h2-7,9,11,18,26H,10H2,1H3,(H,24,27)(H,28,29)