The Biofilms Structural Database
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
Leaving Atoms
n/a