The Biofilms Structural Database
Name
2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Molecular Weight
323.13
Isomeric SMILES
OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+]([O-])=O
Formula
C11H12Cl2N2O5
Identifiers
2,2-bis(chloranyl)-N-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide
Formal Charge
0
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1
Atom Count
32
InChIKey
WIIZWVCIJKGZOK-IUCAKERBSA-N
PDB codes
4EJV
Type
NON-POLYMER
Chiral Atom Count
2
Chiral Atoms
C3, C5
Bond Count
Aromatic Bond Count
6
Leaving Atoms
n/a