tritert-butyl 11-(2-azanylethanoyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate

Systemtic Name: tritert-butyl 11-(2-azanylethanoyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 11-(2-aminoacetyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 11-(2-amino-1-oxoethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 11-(2-aminoacetyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 11-glycyl-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C27H51N5O7 MolecularWeight: 557.72314

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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)C(=O)CN

Isomeric SMILES

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

InChI

InChI=1S/C27H51N5O7/c1-25(2,3)37-22(34)30-14-11-15-32(24(36)39-27(7,8)9)19-18-31(23(35)38-26(4,5)6)13-10-12-29(16-17-30)21(33)20-28/h10-20,28H2,1-9H3