(phenylmethyl) N-[(2S)-1-[[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C38H38N2O10 MolecularWeight: 682.71572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3COCC3C(C4=CC5=C(C=C24)OCO5)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3COC[C@@H]3[C@@H](C4=CC5=C(C=C24)OCO5)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C38H38N2O10/c1-45-32-13-23(14-33(46-2)36(32)42)34-25-15-30-31(50-20-49-30)16-26(25)35(28-19-47-18-27(28)34)40-37(43)29(12-21-8-10-24(41)11-9-21)39-38(44)48-17-22-6-4-3-5-7-22/h3-11,13-16,27-29,34-35,41-42H,12,17-20H2,1-2H3,(H,39,44)(H,40,43)/t27-,28-,29-,34+,35+/m0/s1