photobiotin
5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide
Also Known As: photobiotin|5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide|N-(3-{[3-(4-Azido-2-nitroanilino)propyl](methyl)amino}propyl)-5-[(3aS,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
| Molecular Formula | C23H35N9O4S |
|---|---|
| Molecular Weight | 533.2533 g/mol |
| LogP | 3.5025 |
| Topological Polar Surface Area | 177.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 533.2533 |
| Monoisotopic Mass | 533.2533 |
| Heavy Atoms | 37 |
| Complexity | 1004.42896 |
Chemical Identifiers
| CAS Number | 96087-37-5 |
|---|---|
| SMILES | CN(CCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])CCCNC(=O)CCCCC2[C@@H]3[C@H](CS2)NC(=O)N3 |
Product Overview
photobiotin (CAS 96087-37-5), with molecular formula C23H35N9O4S and molecular weight 533.2533 g/mol. IUPAC: 5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[3-(4-azido-2-nitroanilino)propyl-methylamino]propyl]pentanamide.
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