(3R)-N-[(5aR)-1,5-bis(oxidanylidene)-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-hexadecanamide

Systemtic Name: (3R)-N-[(5aR)-1,5-bis(oxidanylidene)-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-hexadecanamide Openeye Name: (3R)-N-[(5aR)-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-hexadecanamide CAS Name: (3R)-N-[(5aR)-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]hexadecanamide IUPAC Name: (3R)-N-[(5aR)-1,5-dioxo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexadecanamide Traditional Name: (3R)-N-[(5aR)-1,5-diketo-5a,6,7,8-tetrahydropyrrolo[1,2-c][1,3]oxazepin-3-yl]-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-palmitamide Formula: C30H50N2O9 MolecularWeight: 582.726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)NC1=CC(=O)C2CCCN2C(=O)O1)OC3C(C(C(C(O3)C)O)O)O

Isomeric SMILES

CCCCCCCCCCCCC[C@H](CC(=O)NC1=CC(=O)[C@H]2CCCN2C(=O)O1)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O

InChI

InChI=1S/C30H50N2O9/c1-3-4-5-6-7-8-9-10-11-12-13-15-21(40-29-28(37)27(36)26(35)20(2)39-29)18-24(34)31-25-19-23(33)22-16-14-17-32(22)30(38)41-25/h19-22,26-29,35-37H,3-18H2,1-2H3,(H,31,34)/t20-,21+,22+,26-,27+,28+,29-/m0/s1