tert-butyl (2S)-6-oxidanylidene-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]hexanoate

Systemtic Name: tert-butyl (2S)-6-oxidanylidene-2-[4-oxidanylidene-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]hexanoate Openeye Name: tert-butyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-6-oxo-hexanoate CAS Name: (2S)-6-oxo-2-[4-oxo-3,5-bis(phenylmethyl)-1,3,5-triazinan-1-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3,5-dibenzyl-4-oxo-1,3,5-triazinan-1-yl)-6-oxohexanoate Traditional Name: (2S)-2-(3,5-dibenzyl-4-keto-1,3,5-triazinan-1-yl)-6-keto-hexanoic acid tert-butyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC=O)N1CN(C(=O)N(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCC=O)N1CN(C(=O)N(C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O4/c1-27(2,3)34-25(32)24(16-10-11-17-31)30-20-28(18-22-12-6-4-7-13-22)26(33)29(21-30)19-23-14-8-5-9-15-23/h4-9,12-15,17,24H,10-11,16,18-21H2,1-3H3/t24-/m0/s1