[(2S,3S)-5-methoxycarbonyl-1-oxidanyl-2-(phenylmethoxycarbonylamino)hex-5-en-3-yl] benzoate

Systemtic Name: [(2S,3S)-5-methoxycarbonyl-1-oxidanyl-2-(phenylmethoxycarbonylamino)hex-5-en-3-yl] benzoate Openeye Name: [(1S)-1-[(1S)-1-(benzyloxycarbonylamino)-2-hydroxy-ethyl]-3-methoxycarbonyl-but-3-enyl] benzoate CAS Name: benzoic acid [(2S,3S)-1-hydroxy-5-methoxycarbonyl-2-(phenylmethoxycarbonylamino)hex-5-en-3-yl] ester IUPAC Name: [(2S,3S)-1-hydroxy-5-methoxycarbonyl-2-(phenylmethoxycarbonylamino)hex-5-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S)-1-(benzyloxycarbonylamino)-2-hydroxy-ethyl]-3-carbomethoxy-but-3-enyl] ester Formula: C23H25NO7 MolecularWeight: 427.4471

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C)CC(C(CO)NC(=O)OCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO7/c1-16(21(26)29-2)13-20(31-22(27)18-11-7-4-8-12-18)19(14-25)24-23(28)30-15-17-9-5-3-6-10-17/h3-12,19-20,25H,1,13-15H2,2H3,(H,24,28)/t19-,20-/m0/s1