[(2S,3S)-1-methoxy-1,6-bis(oxidanylidene)-2-(phenylmethoxycarbonylamino)octadecan-3-yl] benzoate

Systemtic Name: [(2S,3S)-1-methoxy-1,6-bis(oxidanylidene)-2-(phenylmethoxycarbonylamino)octadecan-3-yl] benzoate Openeye Name: [(1S)-1-[(1S)-1-(benzyloxycarbonylamino)-2-methoxy-2-oxo-ethyl]-4-oxo-hexadecyl] benzoate CAS Name: benzoic acid [(2S,3S)-1-methoxy-1,6-dioxo-2-(phenylmethoxycarbonylamino)octadecan-3-yl] ester IUPAC Name: [(2S,3S)-1-methoxy-1,6-dioxo-2-(phenylmethoxycarbonylamino)octadecan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S)-1-(benzyloxycarbonylamino)-2-keto-2-methoxy-ethyl]-4-keto-hexadecyl] ester Formula: C34H47NO7 MolecularWeight: 581.73948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)CCC(C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC(=O)CC[C@@H]([C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C34H47NO7/c1-3-4-5-6-7-8-9-10-11-18-23-29(36)24-25-30(42-32(37)28-21-16-13-17-22-28)31(33(38)40-2)35-34(39)41-26-27-19-14-12-15-20-27/h12-17,19-22,30-31H,3-11,18,23-26H2,1-2H3,(H,35,39)/t30-,31-/m0/s1