91852-97-0 Purity
96%
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Specification
The PubChem CID for Baq is 83881.
The molecular formula of Baq is C19H22N4O2S.
The synonyms for Baq include Biotinyl-6-aminoquinoline, 91853-89-3, and 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-quinolin-6-ylpentanamide.
The molecular weight of Baq is 370.5 g/mol.
Baq was created in PubChem on August 8, 2005, and last modified on December 30, 2023.
The IUPAC name of Baq is 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-quinolin-6-ylpentanamide.
The InChI of Baq is InChI=1S/C19H22N4O2S/c24-17(21-13-7-8-14-12(10-13)4-3-9-20-14)6-2-1-5-16-18-15(11-26-16)22-19(25)23-18/h3-4,7-10,15-16,18H,1-2,5-6,11H2,(H,21,24)(H2,22,23,25)/t15-,16-,18-/m0/s1.
The InChIKey of Baq is LQDCDPSBDPBXMX-BQFCYCMXSA-N.
The canonical SMILES of Baq is C1C2C(C(S1)CCCCC(=O)NC3=CC4=C(C=C3)N=CC=C4)NC(=O)N2.
The isomeric SMILES of Baq is C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=CC4=C(C=C3)N=CC=C4)NC(=O)N2.