tritert-butyl 12-oxidanylidene-6-(5-oxidanylpentyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate

Systemtic Name: tritert-butyl 12-oxidanylidene-6-(5-oxidanylpentyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 6-(5-hydroxypentyl)-12-oxo-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 6-(5-hydroxypentyl)-12-oxo-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 6-(5-hydroxypentyl)-12-oxo-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 6-(5-hydroxypentyl)-12-keto-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C30H56N4O8 MolecularWeight: 600.78764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)NCCN(CC(CN(CC1)C(=O)OC(C)(C)C)CCCCCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)NCCN(CC(CN(CC1)C(=O)OC(C)(C)C)CCCCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H56N4O8/c1-28(2,3)40-25(37)32-16-14-24(36)31-15-17-33(26(38)41-29(4,5)6)21-23(13-11-10-12-20-35)22-34(19-18-32)27(39)42-30(7,8)9/h23,35H,10-22H2,1-9H3,(H,31,36)