tritert-butyl 10-(2-azanyl-3-oxidanyl-propanoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tritert-butyl 10-(2-azanyl-3-oxidanyl-propanoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tritert-butyl 10-(2-amino-3-hydroxy-propanoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-(2-amino-3-hydroxy-1-oxopropyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 10-(2-amino-3-hydroxypropanoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-(2-amino-3-hydroxy-propanoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester Formula: C26H49N5O8 MolecularWeight: 559.69596

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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(=O)C(CO)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)C(CO)N

InChI

InChI=1S/C26H49N5O8/c1-24(2,3)37-21(34)29-12-10-28(20(33)19(27)18-32)11-13-30(22(35)38-25(4,5)6)15-17-31(16-14-29)23(36)39-26(7,8)9/h19,32H,10-18,27H2,1-9H3