5-azanyl-2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[5-bromanyl-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]sulfanylacetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[5-bromo-1-(4-cyano-1-naphthalenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[5-bromo-1-(4-cyanonaphthalen-1-yl)imidazol-2-yl]sulfanylacetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[5-bromo-1-(4-cyano-1-naphthyl)imidazol-2-yl]thio]acetyl]amino]-5-keto-valeric acid Formula: C21H18BrN5O4S MolecularWeight: 516.36772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N3C(=CN=C3SCC(=O)NC(CCC(=O)N)C(=O)O)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N3C(=CN=C3SCC(=O)NC(CCC(=O)N)C(=O)O)Br)C#N

InChI

InChI=1S/C21H18BrN5O4S/c22-17-10-25-21(32-11-19(29)26-15(20(30)31)6-8-18(24)28)27(17)16-7-5-12(9-23)13-3-1-2-4-14(13)16/h1-5,7,10,15H,6,8,11H2,(H2,24,28)(H,26,29)(H,30,31)