(4S) -4- Carboxy- 5, 5- dimethyl- α- [[(5- methyl- 3- phenyl- 4- isoxazolyl) carbonyl] amino] -2- thiazolidineacetic acid - CAS 1642629-95-5
Catalog: |
BB070586 |
Product Name: |
(4S) -4- Carboxy- 5, 5- dimethyl- α- [[(5- methyl- 3- phenyl- 4- isoxazolyl) carbonyl] amino] -2- thiazolidineacetic acid |
CAS: |
1642629-95-5 |
Synonyms: |
Penicilloic acids of oxacillin; (4S)-2-(Carboxy(((5-methyl-3-phenylisoxazol-4-yl)carbonyl)amino)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid; Oxacillin sodium monohydrate impurity B [EP]; OXACILLIN SODIUM MONOHYDRATE IMPURITY B [EP IMPURITY]; 2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-5,5-DIMETHYL-.ALPHA.-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-, (4S)-; 2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-alpha-(((5-methyl-3-phenyl-4-isoxazolyl)carbonyl)amino)-, (4S)- |
IUPAC Name: | (4S)-2-[carboxy-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
Description: | (4S) -4- Carboxy- 5, 5- dimethyl- α- [[(5- methyl- 3- phenyl- 4- isoxazolyl) carbonyl] amino] -2- thiazolidineacetic acid is a useful reactant for organic reactions. |
Molecular Weight: | 419.45 |
Molecular Formula: | C19H21N3O6S |
Canonical SMILES: | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(C3NC(C(S3)(C)C)C(=O)O)C(=O)O |
InChI: | InChI=1S/C19H21N3O6S/c1-9-11(12(22-28-9)10-7-5-4-6-8-10)15(23)20-13(17(24)25)16-21-14(18(26)27)19(2,3)29-16/h4-8,13-14,16,21H,1-3H3,(H,20,23)(H,24,25)(H,26,27)/t13?,14-,16?/m0/s1 |
InChI Key: | JCHZLBSPYSDECZ-BBBYJDLNSA-N |
Complexity: | 654 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 419.11510657 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 419.11510657 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 167Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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