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

Systemtic Name: tritert-butyl 6-(5-azanylpentyl)-12-oxidanylidene-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 6-(5-aminopentyl)-12-oxo-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 6-(5-aminopentyl)-12-oxo-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 6-(5-aminopentyl)-12-oxo-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 6-(5-aminopentyl)-12-keto-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C30H57N5O7 MolecularWeight: 599.80288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H57N5O7/c1-28(2,3)40-25(37)33-17-14-24(36)32-16-18-34(26(38)41-29(4,5)6)21-23(13-11-10-12-15-31)22-35(20-19-33)27(39)42-30(7,8)9/h23H,10-22,31H2,1-9H3,(H,32,36)