The Biofilms Structural Database

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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[[email protected]](NC(=O)c1ccc(O[[email protected]@H]2O[[email protected]](CO)[[email protected]](O)[[email protected]](O)[[email protected]]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