2-tert-butyl-4-[3-cyclopropyl-6-fluoranyl-2-[2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxidanylidene-ethyl]benzimidazol-5-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-tert-butyl-4-[3-cyclopropyl-6-fluoranyl-2-[2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxidanylidene-ethyl]benzimidazol-5-yl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[2-(2-tert-butoxycarbonyl-2-methyl-hydrazino)-2-oxo-ethyl]-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]-2-tert-butyl-piperazine-1-carboxylic acid CAS Name: 2-tert-butyl-4-[3-cyclopropyl-6-fluoro-2-[2-[2-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinyl]-2-oxoethyl]-5-benzimidazolyl]-1-piperazinecarboxylic acid IUPAC Name: 2-tert-butyl-4-[3-cyclopropyl-6-fluoro-2-[2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxoethyl]benzimidazol-5-yl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[2-(N'-tert-butoxycarbonyl-N'-methyl-hydrazino)-2-keto-ethyl]-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]-2-tert-butyl-piperazine-1-carboxylic acid Formula: C27H39FN6O5 MolecularWeight: 546.634163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)O)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NN(C)C(=O)OC(C)(C)C)C4CC4)F

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)O)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)NN(C)C(=O)OC(C)(C)C)C4CC4)F

InChI

InChI=1S/C27H39FN6O5/c1-26(2,3)21-15-32(10-11-33(21)24(36)37)19-13-20-18(12-17(19)28)29-22(34(20)16-8-9-16)14-23(35)30-31(7)25(38)39-27(4,5)6/h12-13,16,21H,8-11,14-15H2,1-7H3,(H,30,35)(H,36,37)