Molecule ID: 129011032

IUPAC Name: N-[2-[2-[2-[2-[3-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

Description: The molecule is a trisaccharide derivative in which a trisaccharide consisting of alpha-D-galactose, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3) and (1->4), with the glucosyl residue at the reducing end being linked glycosidically to the terminal amide nitrogen of 19-maleimido-17-oxo-4,7,10,13-tetraoxa-16-azanonadecan-1-amide. It is a trisaccharide derivative and a member of maleimides.

SMILES: O=C1C=CC(=O)N1CCC(O)=NCCOCCOCCOCCOCCC(O)=N[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O

SELFIES: [O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][Branch1][C][O][=N][C][C][O][C][C][O][C][C][O][C][C][O][C][C][C][Branch1][C][O][=N][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring2][#Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][S][O]

InChI: InChI=1S/C36H59N3O23/c40-15-18-25(47)27(49)30(52)35(59-18)62-33-26(48)19(16-41)60-36(31(33)53)61-32-20(17-42)58-34(29(51)28(32)50)38-22(44)4-7-54-9-11-56-13-14-57-12-10-55-8-5-37-21(43)3-6-39-23(45)1-2-24(39)46/h1-2,18-20,25-36,40-42,47-53H,3-17H2,(H,37,43)(H,38,44)/t18-,19-,20-,25+,26+,27+,28-,29-,30-,31-,32-,33+,34-,35-,36+/m1/s1

Molecular Properties:
- Polar Surface Area: 381.0 Ų
- LogP: -8.5