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

Systemtic Name: tritert-butyl 10-(3-azanyl-1-methoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tritert-butyl 10-[1-(aminomethyl)-2-methoxy-2-oxo-ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-(3-amino-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-amino-1-methoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-[1-(aminomethyl)-2-keto-2-methoxy-ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester Formula: C27H51N5O8 MolecularWeight: 573.72254

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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)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)C(=O)OC

InChI

InChI=1S/C27H51N5O8/c1-25(2,3)38-22(34)30-13-11-29(20(19-28)21(33)37-10)12-14-31(23(35)39-26(4,5)6)16-18-32(17-15-30)24(36)40-27(7,8)9/h20H,11-19,28H2,1-10H3