(2S)-2-[[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-1-(dodecanoylamino)-2-oxidanylidene-ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-1-(dodecanoylamino)-2-oxidanylidene-ethyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-1-(dodecanoylamino)-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)-3-oxanyl]amino]-2-oxo-1-(1-oxododecylamino)ethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-1-(dodecanoylamino)-2-oxoethyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)tetrahydropyran-3-yl]amino]-2-keto-1-(lauroylamino)ethyl]amino]-4-methyl-valeric acid Formula: C32H54N8O9 MolecularWeight: 694.81936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(C(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C32H54N8O9/c1-4-5-6-7-8-9-10-11-12-13-21(43)38-29(37-19(32(47)48)14-18(2)3)30(46)39-22-24(44)25(45)31(49-26(22)20(42)15-41)40-28-23-27(34-16-33-23)35-17-36-28/h16-20,22,24-26,29,31,37,41-42,44-45H,4-15H2,1-3H3,(H,38,43)(H,39,46)(H,47,48)(H2,33,34,35,36,40)/t19-,20-,22+,24+,25+,26-,29?,31-/m0/s1