ethyl (2S,3R,6S)-2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-6-(phenylmethoxycarbonylamino)octadecanoate

Systemtic Name: ethyl (2S,3R,6S)-2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-6-(phenylmethoxycarbonylamino)octadecanoate Openeye Name: ethyl (2S,3R,6S)-6-(benzyloxycarbonylamino)-3-hydroxy-2-(p-tolylsulfonyloxy)octadecanoate CAS Name: (2S,3R,6S)-3-hydroxy-2-(4-methylphenyl)sulfonyloxy-6-(phenylmethoxycarbonylamino)octadecanoic acid ethyl ester IUPAC Name: ethyl (2S,3R,6S)-3-hydroxy-2-(4-methylphenyl)sulfonyloxy-6-(phenylmethoxycarbonylamino)octadecanoate Traditional Name: (2S,3R,6S)-6-(benzyloxycarbonylamino)-3-hydroxy-2-tosyloxy-stearic acid ethyl ester Formula: C35H53NO8S MolecularWeight: 647.86222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(C(C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)C)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC[C@@H](CC[C@H]([C@@H](C(=O)OCC)OS(=O)(=O)C1=CC=C(C=C1)C)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C35H53NO8S/c1-4-6-7-8-9-10-11-12-13-17-20-30(36-35(39)43-27-29-18-15-14-16-19-29)23-26-32(37)33(34(38)42-5-2)44-45(40,41)31-24-21-28(3)22-25-31/h14-16,18-19,21-22,24-25,30,32-33,37H,4-13,17,20,23,26-27H2,1-3H3,(H,36,39)/t30-,32+,33-/m0/s1