5-[5-(2-chloranyl-6-methyl-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-(2-chloranyl-6-methyl-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-(2-chloro-6-methyl-phenyl)sulfanyltetrazol-1-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(2-chloro-6-methylphenyl)thio]-1-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-(2-chloro-6-methylphenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-[(2-chloro-6-methyl-phenyl)thio]tetrazol-1-yl]-4-keto-valeric acid Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)SC2=NN=NN2CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN5O5S/c1-13-6-5-9-15(22)19(13)33-20-24-25-26-27(20)11-17(28)16(10-18(29)30)23-21(31)32-12-14-7-3-2-4-8-14/h2-9,16H,10-12H2,1H3,(H,23,31)(H,29,30)