2-[2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2-methyl-but-3-yn-2-yl]oxyethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[4-[4-[2-[[1-(4-tert-butyl-2-chloranyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]-3-chloranyl-phenyl]-2-methyl-but-3-yn-2-yl]oxyethanoylamino]ethanoic acid Openeye Name: 2-[[2-[3-[4-[[2-[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chloro-phenyl]-1,1-dimethyl-prop-2-ynoxy]acetyl]amino]acetic acid CAS Name: 2-[[2-[4-[4-[[2-[[1-(4-tert-butyl-2-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]-3-chlorophenyl]-2-methylbut-3-yn-2-yl]oxy-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-[4-[[2-[1-(4-tert-butyl-2-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-3-chlorophenyl]-2-methylbut-3-yn-2-yl]oxyacetyl]amino]acetic acid Traditional Name: 2-[[2-[3-[4-[[2-[[1-(4-tert-butyl-2-chloro-phenyl)tetrazol-5-yl]thio]acetyl]amino]-3-chloro-phenyl]-1,1-dimethyl-prop-2-ynoxy]acetyl]amino]acetic acid Formula: C28H30Cl2N6O5S MolecularWeight: 633.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)OCC(=O)NCC(=O)O)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)OCC(=O)NCC(=O)O)Cl)Cl

InChI

InChI=1S/C28H30Cl2N6O5S/c1-27(2,3)18-7-9-22(20(30)13-18)36-26(33-34-35-36)42-16-24(38)32-21-8-6-17(12-19(21)29)10-11-28(4,5)41-15-23(37)31-14-25(39)40/h6-9,12-13H,14-16H2,1-5H3,(H,31,37)(H,32,38)(H,39,40)