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

Systemtic Name: ditert-butyl (2S,9S)-2,9-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitro-6-oxidanyl-decanedioate Openeye Name: ditert-butyl (2S,9S)-2,9-bis[bis(tert-butoxycarbonyl)amino]-5-hydroxy-6-nitro-decanedioate CAS Name: (2S,9S)-2,9-bis[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-hydroxy-6-nitrodecanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,9S)-2,9-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxy-6-nitrodecanedioate Traditional Name: (2S,9S)-2,9-bis[bis(tert-butoxycarbonyl)amino]-5-hydroxy-6-nitro-sebacic acid ditert-butyl ester Formula: C38H67N3O15 MolecularWeight: 805.94968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H67N3O15/c1-33(2,3)51-27(43)24(39(29(45)53-35(7,8)9)30(46)54-36(10,11)12)20-19-23(41(49)50)26(42)22-21-25(28(44)52-34(4,5)6)40(31(47)55-37(13,14)15)32(48)56-38(16,17)18/h23-26,42H,19-22H2,1-18H3/t23?,24-,25-,26?/m0/s1