Small Molecule
Anatibant
[ SM0116391 ]
- Charge
- 0
- Formula
- C34H36Cl2N6O5S
- inChi
- InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
- InChiKey
- XUHBBTKJWIBQMY-MHZLTWQESA-N
- SMILES
- C1=CC=C2C(=C1OCC3=C(C=CC(=C3Cl)S(N4[C@@H](CCC4)C(NCCCNC(C5=CC=C(C=C5)C(N)=N)=O)=O)(=O)=O)Cl)N=C(C=C2C)C
- Monoisotopic mass
- 710.18449
- Synonym
- LF 16-0687
- Xref
- KEGG: C20010 CHEBI: 138828
Classification
| Gene Symbol | Genomic Location | Type of Gene | Protein name | Ensembl RNA | Refseq RNA | Relation |
|---|