ditert-butyl 2,8-bis(azanyl)-2,8-bis(4-azanyl-4-methylsulfonyl-4-phenyl-butyl)nonanedioate

Systemtic Name: ditert-butyl 2,8-bis(azanyl)-2,8-bis(4-azanyl-4-methylsulfonyl-4-phenyl-butyl)nonanedioate Openeye Name: ditert-butyl 2,8-diamino-2,8-bis(4-amino-4-methylsulfonyl-4-phenyl-butyl)nonanedioate CAS Name: 2,8-diamino-2,8-bis(4-amino-4-methylsulfonyl-4-phenylbutyl)nonanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,8-diamino-2,8-bis(4-amino-4-methylsulfonyl-4-phenylbutyl)nonanedioate Traditional Name: 2,8-diamino-2,8-bis(4-amino-4-mesyl-4-phenyl-butyl)azelaic acid ditert-butyl ester Formula: C39H64N4O8S2 MolecularWeight: 781.07746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCCC(CCCC(C1=CC=CC=C1)(N)S(=O)(=O)C)(C(=O)OC(C)(C)C)N)(CCCC(C2=CC=CC=C2)(N)S(=O)(=O)C)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCCC(CCCC(C1=CC=CC=C1)(N)S(=O)(=O)C)(C(=O)OC(C)(C)C)N)(CCCC(C2=CC=CC=C2)(N)S(=O)(=O)C)N

InChI

InChI=1S/C39H64N4O8S2/c1-34(2,3)50-32(44)36(40,26-18-28-38(42,52(7,46)47)30-20-12-9-13-21-30)24-16-11-17-25-37(41,33(45)51-35(4,5)6)27-19-29-39(43,53(8,48)49)31-22-14-10-15-23-31/h9-10,12-15,20-23H,11,16-19,24-29,40-43H2,1-8H3