(2S)-9-[(1S,2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-ethoxycarbonyl-cyclopropyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]non-8-ynoic acid

Systemtic Name: (2S)-9-[(1S,2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-ethoxycarbonyl-cyclopropyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]non-8-ynoic acid Openeye Name: (2S)-9-[(1S,2R)-2-[bis(tert-butoxycarbonyl)amino]-2-ethoxycarbonyl-cyclopropyl]-2-[(2,2,2-trifluoroacetyl)amino]non-8-ynoic acid CAS Name: (2S)-9-[(1S,2R)-2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-ethoxycarbonylcyclopropyl]-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-8-nonynoic acid IUPAC Name: (2S)-9-[(1S,2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-ethoxycarbonylcyclopropyl]-2-[(2,2,2-trifluoroacetyl)amino]non-8-ynoic acid Traditional Name: (2S)-9-[(1S,2R)-2-[bis(tert-butoxycarbonyl)amino]-2-carbethoxy-cyclopropyl]-2-[(2,2,2-trifluoroacetyl)amino]non-8-ynoic acid Formula: C27H39F3N2O9 MolecularWeight: 592.60177

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C#CCCCCCC(C(=O)O)NC(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@]1(C[C@H]1C#CCCCCC[C@@H](C(=O)O)NC(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H39F3N2O9/c1-8-39-21(36)26(32(22(37)40-24(2,3)4)23(38)41-25(5,6)7)16-17(26)14-12-10-9-11-13-15-18(19(33)34)31-20(35)27(28,29)30/h17-18H,8-11,13,15-16H2,1-7H3,(H,31,35)(H,33,34)/t17-,18+,26-/m1/s1