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

Systemtic Name: ethyl (2S)-2-[3-[4-(cyclohexylmethylcarbamoyloxymethyl)-8-(naphthalen-1-ylmethylcarbamoyloxy)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[3-[4-(cyclohexylmethylcarbamoyloxymethyl)-8-(1-naphthylmethylcarbamoyloxy)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[4-[[(cyclohexylmethylamino)-oxomethoxy]methyl]-8-[(1-naphthalenylmethylamino)-oxomethoxy]-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[4-(cyclohexylmethylcarbamoyloxymethyl)-8-(naphthalen-1-ylmethylcarbamoyloxy)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[4-(cyclohexylmethylcarbamoyloxymethyl)-8-(1-naphthylmethylcarbamoyloxy)-5,11-dioxaspiro[5.5]undecan-10-yl]propanoylamino]-3-phenyl-propionic acid ethyl ester Formula: C44H57N3O9 MolecularWeight: 771.93808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2CC(CC3(O2)CCCC(O3)COC(=O)NCC4CCCCC4)OC(=O)NCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC2CC(CC3(O2)CCCC(O3)COC(=O)NCC4CCCCC4)OC(=O)NCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C44H57N3O9/c1-2-52-41(49)39(25-31-13-5-3-6-14-31)47-40(48)23-22-35-26-37(54-43(51)46-29-34-19-11-18-33-17-9-10-21-38(33)34)27-44(55-35)24-12-20-36(56-44)30-53-42(50)45-28-32-15-7-4-8-16-32/h3,5-6,9-11,13-14,17-19,21,32,35-37,39H,2,4,7-8,12,15-16,20,22-30H2,1H3,(H,45,50)(H,46,51)(H,47,48)/t35?,36?,37?,39-,44?/m0/s1