ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(3-methylbutylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(3-methylbutylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(isopentylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[8-[(1,3-benzodioxol-5-ylmethylamino)-oxomethoxy]-4-[[(3-methylbutylamino)-oxomethoxy]methyl]-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[8-(1,3-benzodioxol-5-ylmethylcarbamoyloxy)-4-(3-methylbutylcarbamoyloxymethyl)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[4-(isoamylcarbamoyloxymethyl)-8-(piperonylcarbamoyloxy)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propionic acid ethyl ester Formula: C39H53N3O11 MolecularWeight: 739.85162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2CC(CC3(O2)CCCC(O3)COC(=O)NCCC(C)C)OC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC2CC(CC3(O2)CCCC(O3)COC(=O)NCCC(C)C)OC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C39H53N3O11/c1-4-47-36(44)32(19-27-9-6-5-7-10-27)42-35(43)15-13-29-21-31(51-38(46)41-23-28-12-14-33-34(20-28)50-25-49-33)22-39(52-29)17-8-11-30(53-39)24-48-37(45)40-18-16-26(2)3/h5-7,9-10,12,14,20,26,29-32H,4,8,11,13,15-19,21-25H2,1-3H3,(H,40,45)(H,41,46)(H,42,43)/t29?,30?,31?,32-,39?/m0/s1