ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(2,2-diphenylethylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-4-methyl-pentanoate

Systemtic Name: ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(2,2-diphenylethylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(2,2-diphenylethylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-[8-[(1,3-benzodioxol-5-ylmethylamino)-oxomethoxy]-4-[[(2,2-diphenylethylamino)-oxomethoxy]methyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxopropyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(2,2-diphenylethylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-[4-(2,2-diphenylethylcarbamoyloxymethyl)-8-(piperonylcarbamoyloxy)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-4-methyl-valeric acid ethyl ester Formula: C45H57N3O11 MolecularWeight: 815.94758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)CCC1CC(CC2(O1)CCCC(O2)COC(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)CCC1CC(CC2(O1)CCCC(O2)COC(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C45H57N3O11/c1-4-53-42(50)38(22-30(2)3)48-41(49)20-18-34-24-36(57-44(52)46-26-31-17-19-39-40(23-31)56-29-55-39)25-45(58-34)21-11-16-35(59-45)28-54-43(51)47-27-37(32-12-7-5-8-13-32)33-14-9-6-10-15-33/h5-10,12-15,17,19,23,30,34-38H,4,11,16,18,20-22,24-29H2,1-3H3,(H,46,52)(H,47,51)(H,48,49)/t34?,35?,36?,38-,45?/m0/s1