(phenylmethyl) (2S)-6-azanyl-2-[bis(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]hexanoate

Systemtic Name: (phenylmethyl) (2S)-6-azanyl-2-[bis(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]hexanoate Openeye Name: benzyl (2S)-6-amino-2-[bis(2-benzyloxy-2-oxo-ethyl)amino]hexanoate CAS Name: (2S)-6-amino-2-[bis(2-oxo-2-phenylmethoxyethyl)amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-6-amino-2-[bis(2-oxo-2-phenylmethoxyethyl)amino]hexanoate Traditional Name: (2S)-6-amino-2-[bis(2-benzoxy-2-keto-ethyl)amino]hexanoic acid benzyl ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN(CC(=O)OCC2=CC=CC=C2)C(CCCCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN(CC(=O)OCC2=CC=CC=C2)[C@@H](CCCCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H36N2O6/c32-19-11-10-18-28(31(36)39-24-27-16-8-3-9-17-27)33(20-29(34)37-22-25-12-4-1-5-13-25)21-30(35)38-23-26-14-6-2-7-15-26/h1-9,12-17,28H,10-11,18-24,32H2/t28-/m0/s1