ditert-butyl (2S,9S)-5-acetyloxy-2,9-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-nitro-decanedioate

Systemtic Name: ditert-butyl (2S,9S)-5-acetyloxy-2,9-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-nitro-decanedioate Openeye Name: ditert-butyl (2S,9S)-5-acetoxy-2,9-bis[bis(tert-butoxycarbonyl)amino]-6-nitro-decanedioate CAS Name: (2S,9S)-5-acetyloxy-2,9-bis[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-nitrodecanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,9S)-5-acetyloxy-2,9-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-nitrodecanedioate Traditional Name: (2S,9S)-5-acetoxy-2,9-bis[bis(tert-butoxycarbonyl)amino]-6-nitro-sebacic acid ditert-butyl ester Formula: C40H69N3O16 MolecularWeight: 847.98636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(CCC(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CC[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(CC[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C40H69N3O16/c1-24(44)53-28(23-22-27(30(46)55-36(5,6)7)42(33(49)58-39(14,15)16)34(50)59-40(17,18)19)25(43(51)52)20-21-26(29(45)54-35(2,3)4)41(31(47)56-37(8,9)10)32(48)57-38(11,12)13/h25-28H,20-23H2,1-19H3/t25?,26-,27-,28?/m0/s1