4’-Bromo Ampicillin - CAS 1356019-52-7?
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Catalog Number: R046548
CAS Number: 1356019-52-7?
PubChem Substance ID:355127763
Molecular Formula: C16H18BrN3O4S
Molecular Weight:428.301
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | (2S,5R,6R)-6-[[(2R)-2-Amino-2-(4-bromophenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; |
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Property
Molecular Formula: | C16H18BrN3O4S |
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Molecular Weight | 428.301 |
Purity | ≥95% |
Storage | -20°C |
Computed Descriptor
IUPAC Name | (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-bromophenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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InChI | InChI=1S/C16H18BrN3O4S/c1-16(2)11(15(23)24)20-13(22)10(14(20)25-16)19-12(21)9(18)7-3-5-8(17)6-4-7/h3-6,9-11,14H,18H2,1-2H3,(H,19,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 |
InChIKey | YHGWQHFZQZNZCJ-NJBDSQKTSA-N |
SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)Br)N)C(=O)O)C |