ditert-butyl (2S,4S,8S)-4-methyl-5-oxidanylidene-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate

Systemtic Name: ditert-butyl (2S,4S,8S)-4-methyl-5-oxidanylidene-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate Openeye Name: ditert-butyl (2S,4S,8S)-4-methyl-5-oxo-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate CAS Name: (2S,4S,8S)-4-methyl-5-oxo-2,8-bis[(9-phenyl-9-fluorenyl)amino]nonanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4S,8S)-4-methyl-5-oxo-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate Traditional Name: (2S,4S,8S)-5-keto-4-methyl-2,8-bis[(9-phenylfluoren-9-yl)amino]azelaic acid ditert-butyl ester Formula: C56H58N2O5 MolecularWeight: 839.07012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)OC(C)(C)C)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)C(=O)CCC(C(=O)OC(C)(C)C)NC5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8

Isomeric SMILES

C[C@@H](C[C@@H](C(=O)OC(C)(C)C)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)C(=O)CC[C@@H](C(=O)OC(C)(C)C)NC5(C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C8

InChI

InChI=1S/C56H58N2O5/c1-37(36-49(52(61)63-54(5,6)7)58-56(39-24-12-9-13-25-39)46-32-20-16-28-42(46)43-29-17-21-33-47(43)56)50(59)35-34-48(51(60)62-53(2,3)4)57-55(38-22-10-8-11-23-38)44-30-18-14-26-40(44)41-27-15-19-31-45(41)55/h8-33,37,48-49,57-58H,34-36H2,1-7H3/t37-,48-,49-/m0/s1