The Biofilms Structural Database
Name
4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
Molecular Weight
351.42
Isomeric SMILES
CS(=O)(=O)c1cccc(OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O)c1
Formula
C17H21NO5S
Identifiers
4-(3-methylsulfonylphenoxy)-~{N}-[(1~{S},3~{S},5~{S})-2-oxidanylidene-3-bicyclo[3.1.0]hexanyl]butanamide
Formal Charge
0
InChI
InChI=1S/C17H21NO5S/c1-24(21,22)13-5-2-4-12(10-13)23-7-3-6-16(19)18-15-9-11-8-14(11)17(15)20/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t11-,14-,15-/m0/s1
Atom Count
45
InChIKey
MNLBJMNPVMBTLW-CQDKDKBSSA-N
PDB codes
6MWZ
Type
Non-polymer
Chiral Atom Count
3
Chiral Atoms
C03, C22, C23
Bond Count
47
Aromatic Bond Count
6
Leaving Atoms
n/a