(phenylmethyl) 3-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]propanoate Openeye Name: benzyl 3-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]propanoate CAS Name: 3-[[1-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)propyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]propanoate Traditional Name: 3-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]propionic acid benzyl ester Formula: C21H35N5O3 MolecularWeight: 405.5343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

Isomeric SMILES

CC(C(=O)NCCC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

InChI

InChI=1S/C21H35N5O3/c1-18(26-15-13-23-11-9-22-10-12-24-14-16-26)21(28)25-8-7-20(27)29-17-19-5-3-2-4-6-19/h2-6,18,22-24H,7-17H2,1H3,(H,25,28)