The Biofilms Structural Database
Name
(2S)-2-amino-4-[(2R,3R)-2,3-dihydroxy-3-N-hydroxycarbamoy-propylmercapto]butyric Acid
Molecular Weight
268.29
Isomeric SMILES
N[C@@H](CCSC[C@H](O)[C@@H](O)C(=O)NO)C(O)=O
Formula
C8H16N2O6S
Identifiers
2S)-2-amino-4-[(2R,3R)-2,3-dihydroxy-4-(hydroxyamino)-4-oxo-butyl]sulfanyl-butanoic acid
Formal Charge
0
InChI
InChI=1S/C8H16N2O6S/c9-4(8(14)15)1-2-17-3-5(11)6(12)7(13)10-16/h4-6,11-12,16H,1-3,9H2,(H,10,13)(H,14,15)/t4-,5-,6+/m0/s1
Atom Count
33
InChIKey
PWFBZASPUNGGAM-HCWXCVPCSA-N
PDB codes
2FQO
Type
Non-polymer
Chiral Atom Count
3
Chiral Atoms
C3, C4, CA
Bond Count
32
Aromatic Bond Count
Leaving Atoms
n/a