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

Systemtic Name: 5-[5-(4-tert-butyl-2-chloranyl-phenyl)sulfanyl-1,2,3,4-tetrazol-2-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-(4-tert-butyl-2-chloro-phenyl)sulfanyltetrazol-2-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(4-tert-butyl-2-chlorophenyl)thio]-2-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-(4-tert-butyl-2-chlorophenyl)sulfanyltetrazol-2-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-[(4-tert-butyl-2-chloro-phenyl)thio]tetrazol-2-yl]-4-keto-valeric acid Formula: C24H26ClN5O5S MolecularWeight: 532.01174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)SC2=NN(N=N2)CC(=O)C(CC(=O)O)NC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H26ClN5O5S/c1-24(2,3)16-9-10-20(17(25)11-16)36-22-27-29-30(28-22)13-19(31)18(12-21(32)33)26-23(34)35-14-15-7-5-4-6-8-15/h4-11,18H,12-14H2,1-3H3,(H,26,34)(H,32,33)