Biotinyl P-Nitroaniline
Basic information
- CAS
33755-54-3- Standard SMILES
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1ccc([N+](=O)[O-])cc1- InChIKey
PORZMUYPQKOFQY-YDHLFZDLSA-N- Molecular formula
- C16H20N4O4S
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.12052631
Names & identifiers
- Preferred name
- Biotinyl P-Nitroaniline
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-nitrophenyl)pentanamide
Names & synonyms
BIOTINYL P-NITROANILINE5-((3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno(3,4-d)imidazolidin-4-yl)-N-(4-nitrophenyl)pentanamide5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]-N-(4-nitrophenyl)pentanamideRefChem:5683765-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDEN-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamideSCHEMBL4321653DTXSID401126760DB0354933755-54-3NS00070289Q27094484
Show more names
(3aS,4S,6aR)-Hexahydro-N-(4-nitrophenyl)-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
Database identifiers
- CAS
33755-54-3- PubChem CID
- 446236
- DTXSID
DTXSID401126760- Nikkaji
- J2.310.845C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Related reactions
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Compound notes
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