The Biofilms Structural Database
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Inverse Agonist OT2

6YIZ

Code

OT2

Name

7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid

Molecular Weight

540.54

Isomeric SMILES

c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O

Formula

C20H16N2O10S3

Identifiers

7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid

Formal Charge

0

InChI

InChI=1S/C20H16N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,20-22H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/t20-/m0/s1

Atom Count

51

InChIKey

DOHFSJYQGWYGDQ-FQEVSTJZSA-N

PDB codes

6YIZ

Type

NON-POLYMER

Chiral Atom Count

1

Chiral Atoms

n/a

Bond Count

54

Aromatic Bond Count

17

Leaving Atoms

n/a