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

Systemtic Name: [(E,2S,3R,4R)-4-acetyloxy-1-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] 2-phenylethanoate Openeye Name: [(E,1R,2R)-2-acetoxy-1-[(1S)-1-(benzyloxycarbonylamino)-2-methylsulfonyloxy-ethyl]pent-3-enyl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(E,2S,3R,4R)-4-acetyloxy-1-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] ester IUPAC Name: [(E,2S,3R,4R)-4-acetyloxy-1-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)hept-5-en-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(E,1R,2R)-2-acetoxy-1-[(1S)-1-(benzyloxycarbonylamino)-2-methylsulfonyloxy-ethyl]pent-3-enyl] ester Formula: C26H31NO9S MolecularWeight: 533.59064

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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)OC(=O)C

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)OC(=O)C

InChI

InChI=1S/C26H31NO9S/c1-4-11-23(35-19(2)28)25(36-24(29)16-20-12-7-5-8-13-20)22(18-34-37(3,31)32)27-26(30)33-17-21-14-9-6-10-15-21/h4-15,22-23,25H,16-18H2,1-3H3,(H,27,30)/b11-4+/t22-,23+,25+/m0/s1