methyl (2S,11S)-5,12-bis(oxidanylidene)-11-(phenylmethoxycarbonylamino)-1,6-diazacyclododecane-2-carboxylate

Systemtic Name: methyl (2S,11S)-5,12-bis(oxidanylidene)-11-(phenylmethoxycarbonylamino)-1,6-diazacyclododecane-2-carboxylate Openeye Name: methyl (2S,11S)-11-(benzyloxycarbonylamino)-5,12-dioxo-1,6-diazacyclododecane-2-carboxylate CAS Name: (2S,11S)-5,12-dioxo-11-(phenylmethoxycarbonylamino)-1,6-diazacyclododecane-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,11S)-5,12-dioxo-11-(phenylmethoxycarbonylamino)-1,6-diazacyclododecane-2-carboxylate Traditional Name: (2S,11S)-11-(benzyloxycarbonylamino)-5,12-diketo-1,6-diazacyclododecane-2-carboxylic acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)NCCCCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O6/c1-28-19(26)16-10-11-17(24)21-12-6-5-9-15(18(25)22-16)23-20(27)29-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,21,24)(H,22,25)(H,23,27)/t15-,16-/m0/s1