5-[5-(4-tert-butyl-2,6-dimethyl-phenyl)sulfanyl-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]pentanoic acid

Systemtic Name: 5-[5-(4-tert-butyl-2,6-dimethyl-phenyl)sulfanyl-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-[(phenylmethylsulfanyl)carbonylamino]pentanoic acid Openeye Name: 3-(benzylsulfanylcarbonylamino)-5-[5-(4-tert-butyl-2,6-dimethyl-phenyl)sulfanyltetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(4-tert-butyl-2,6-dimethylphenyl)thio]-2-tetrazolyl]-4-oxo-3-[[oxo-(phenylmethylthio)methyl]amino]pentanoic acid IUPAC Name: 3-(benzylsulfanylcarbonylamino)-5-[5-(4-tert-butyl-2,6-dimethylphenyl)sulfanyltetrazol-2-yl]-4-oxopentanoic acid Traditional Name: 3-[(benzylthio)carbonylamino]-5-[5-[(4-tert-butyl-2,6-dimethyl-phenyl)thio]tetrazol-2-yl]-4-keto-valeric acid Formula: C26H31N5O4S2 MolecularWeight: 541.68544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)SCC3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)SCC3=CC=CC=C3)C)C(C)(C)C

InChI

InChI=1S/C26H31N5O4S2/c1-16-11-19(26(3,4)5)12-17(2)23(16)37-24-28-30-31(29-24)14-21(32)20(13-22(33)34)27-25(35)36-15-18-9-7-6-8-10-18/h6-12,20H,13-15H2,1-5H3,(H,27,35)(H,33,34)