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Amoxicillin Related Compound D

CAT: 1596-AR-P08999-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P08999-01Size:10 Units
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CAS Number
1642629-94-4
Synonyms
(4S) -2- (((R) -2-amino-2- (4-hydroxyphenyl) acetamido) (carboxy) methyl) -5,5-dimethylthiazolidine-4-carboxylic acid; Amoxicillin EP Impurity D
Molecular Formula
C16H21N3O6S
Molecular Weight
383.42
API Name
Amoxicillin

Chemical Information

(4S)-2-(((R)-2-amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CAS Number1642629-94-4
PubChem CID101043512
IUPAC Name(4S)-2-[[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Molecular FormulaC16H21N3O6S
Molecular Weight383.4
XLogP-4.6
Topological Polar Surface Area187
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity564
SMILES
CC1([C@@H](NC(S1)C(C(=O)O)NC(=O)[C@@H](C2=CC=C(C=C2)O)N)C(=O)O)C
InChI
InChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)/t9-,10?,11+,13?/m1/s1
InChIKey
LHHKJQFIKHAUIA-JJOYANBFSA-N
Chemical Structure
2D Structure
2D structure of (4S)-2-(((R)-2-amino-2-(4-hydroxyphenyl)acetamido)(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CAS: 1642629-94-4
CID: 101043512
Formula: C16H21N3O6S
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP3-4.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass383.11510657
Monoisotopic Mass383.11510657
Topological Polar Surface Area187 Ų
Heavy Atom Count26
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FA63614-01Amoxicillin related compound D
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