tritert-butyl 11-(3-azanylpropyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate

Systemtic Name: tritert-butyl 11-(3-azanylpropyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 11-(3-aminopropyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 11-(3-aminopropyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 11-(3-aminopropyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 11-(3-aminopropyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C28H55N5O6 MolecularWeight: 557.7662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCCN

InChI

InChI=1S/C28H55N5O6/c1-26(2,3)37-23(34)31-17-12-18-33(25(36)39-28(7,8)9)22-21-32(24(35)38-27(4,5)6)16-11-15-30(19-20-31)14-10-13-29/h10-22,29H2,1-9H3