The Biofilms Structural Database |
Divalent Galactoside |
|
---|---|
4YW6 |
|
Code
G0P | |
Name |
N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide |
Molecular Weight |
481.54 |
Isomeric SMILES |
NCCCC[C@H](NC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N1CCCC1 |
Formula |
C23H35N3O8 |
Identifiers |
N-[(2S)-6-azanyl-1-oxidanylidene-1-pyrrolidin-1-yl-hexan-2-yl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-benzamide |
Formal Charge |
0 |
InChI |
InChI=1S/C23H35N3O8/c24-10-2-1-5-16(22(32)26-11-3-4-12-26)25-21(31)14-6-8-15(9-7-14)33-23-20(30)19(29)18(28)17(13-27)34-23/h6-9,16-20,23,27-30H,1-5,10-13,24H2,(H,25,31)/t16-,17+,18-,19-,20+,23+/m0/s1 |
Atom Count |
69 |
InChIKey |
GCYOKNSMKQYQAG-YWAVYKJCS |
PDB codes |
4YW6 |
Type |
NON-POLYMER |
Chiral Atom Count |
6 |
Chiral Atoms |
C19, C35, C37, C40, C42, C44 |
Bond Count |
71 |
Aromatic Bond Count |
6 |
Leaving Atoms |
n/a |