[(E,2S,3R,4R)-1-methylsulfonyloxy-4-oxidanyl-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] 2-phenylethanoate

Systemtic Name: [(E,2S,3R,4R)-1-methylsulfonyloxy-4-oxidanyl-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] 2-phenylethanoate Openeye Name: [(E,1R,2R)-1-[(1S)-1-(benzyloxycarbonylamino)-2-methylsulfonyloxy-ethyl]-2-hydroxy-pent-3-enyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(E,2S,3R,4R)-4-hydroxy-1-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] ester IUPAC Name: [(E,2S,3R,4R)-4-hydroxy-1-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(E,1R,2R)-1-[(1S)-1-(benzyloxycarbonylamino)-2-methylsulfonyloxy-ethyl]-2-hydroxy-pent-3-enyl] ester Formula: C24H29NO8S MolecularWeight: 491.55396

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(C(COS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1)OC(=O)CC2=CC=CC=C2)O

Isomeric SMILES

C/C=C/[C@H]([C@@H]([C@H](COS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1)OC(=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C24H29NO8S/c1-3-10-21(26)23(33-22(27)15-18-11-6-4-7-12-18)20(17-32-34(2,29)30)25-24(28)31-16-19-13-8-5-9-14-19/h3-14,20-21,23,26H,15-17H2,1-2H3,(H,25,28)/b10-3+/t20-,21+,23+/m0/s1