[(2S,3S)-3-acetyloxy-3-[6-(1,3-dithiolan-2-yl)-4-phenylmethoxy-1-(phenylsulfonyl)indol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate

Systemtic Name: [(2S,3S)-3-acetyloxy-3-[6-(1,3-dithiolan-2-yl)-4-phenylmethoxy-1-(phenylsulfonyl)indol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate Openeye Name: [(2S,3S)-3-acetoxy-3-[1-(benzenesulfonyl)-4-benzyloxy-6-(1,3-dithiolan-2-yl)indol-2-yl]-2-(tert-butoxycarbonylamino)propyl] acetate CAS Name: acetic acid [(2S,3S)-3-acetyloxy-3-[1-(benzenesulfonyl)-6-(1,3-dithiolan-2-yl)-4-phenylmethoxy-2-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [(2S,3S)-3-acetyloxy-3-[1-(benzenesulfonyl)-6-(1,3-dithiolan-2-yl)-4-phenylmethoxyindol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate Traditional Name: acetic acid [(2S,3S)-3-acetoxy-3-[4-benzoxy-1-besyl-6-(1,3-dithiolan-2-yl)indol-2-yl]-2-(tert-butoxycarbonylamino)propyl] ester Formula: C36H40N2O9S3 MolecularWeight: 740.9058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2OCC4=CC=CC=C4)C5SCCS5)OC(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC[C@@H]([C@@H](C1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2OCC4=CC=CC=C4)C5SCCS5)OC(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H40N2O9S3/c1-23(39)44-22-29(37-35(41)47-36(3,4)5)33(46-24(2)40)31-20-28-30(38(31)50(42,43)27-14-10-7-11-15-27)18-26(34-48-16-17-49-34)19-32(28)45-21-25-12-8-6-9-13-25/h6-15,18-20,29,33-34H,16-17,21-22H2,1-5H3,(H,37,41)/t29-,33-/m0/s1