tritert-butyl 10-(3-azido-1-methoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tritert-butyl 10-(3-azido-1-methoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tritert-butyl 10-[1-(azidomethyl)-2-methoxy-2-oxo-ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-(3-azido-1-methoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 10-(3-azido-1-methoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-[1-(azidomethyl)-2-keto-2-methoxy-ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester Formula: C27H49N7O8 MolecularWeight: 599.72006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(CN=[N+]=[N-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(CN=[N+]=[N-])C(=O)OC

InChI

InChI=1S/C27H49N7O8/c1-25(2,3)40-22(36)32-13-11-31(20(19-29-30-28)21(35)39-10)12-14-33(23(37)41-26(4,5)6)16-18-34(17-15-32)24(38)42-27(7,8)9/h20H,11-19H2,1-10H3