O1-tert-butyl O5-(phenylmethyl) (2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate

Systemtic Name: O1-tert-butyl O5-(phenylmethyl) (2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate Openeye Name: O5-benzyl O1-tert-butyl (2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate CAS Name: (2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioic acid O1-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-tert-butyl (2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate Traditional Name: (2R)-2-(1,4,7,10-tetrazacyclododec-1-yl)glutaric acid O5-benzyl ester O1-tert-butyl ester Formula: C24H40N4O4 MolecularWeight: 448.5988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](CCC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

InChI

InChI=1S/C24H40N4O4/c1-24(2,3)32-23(30)21(9-10-22(29)31-19-20-7-5-4-6-8-20)28-17-15-26-13-11-25-12-14-27-16-18-28/h4-8,21,25-27H,9-19H2,1-3H3/t21-/m1/s1