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

Systemtic Name: 5-[5-(4-tert-butyl-2-methyl-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-5-[5-(4-tert-butyl-2-methyl-phenyl)sulfanyltetrazol-1-yl]-4-oxo-pentanoic acid CAS Name: 5-[5-[(4-tert-butyl-2-methylphenyl)thio]-1-tetrazolyl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-(4-tert-butyl-2-methylphenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-5-[5-[(4-tert-butyl-2-methyl-phenyl)thio]tetrazol-1-yl]-4-keto-valeric acid Formula: C25H29N5O5S MolecularWeight: 511.59326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O5S/c1-16-12-18(25(2,3)4)10-11-21(16)36-23-27-28-29-30(23)14-20(31)19(13-22(32)33)26-24(34)35-15-17-8-6-5-7-9-17/h5-12,19H,13-15H2,1-4H3,(H,26,34)(H,32,33)