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Amantocillin

CAT: 0013-GTR19199509-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199509-01Size:25 mg
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Description
Amantocillin is a small molecule antibiotic compound for research use. It is utilized in microbiological and pharmacological studies, including in vitro assays against bacterial cultures and in vivo models for investigating antibiotic efficacy and mechanisms of action.
CAS Number
10004-67-8
Smiles
C (N[C@H]1[C@@]2 (N (C1=O) [C@@H] (C (O) =O) C (C) (C) S2) [H]) (=O) C34CC5 (N) CC (C3) (CC (C4) (C5) [H]) [H]
Molecular Formula
C19H27N3O4S
Molecular Weight
393.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amantocillin
CAS Number10004-67-8
PubChem CID10318432
IUPAC Name(2S,5R,6R)-6-[(3-aminoadamantane-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC19H27N3O4S
Molecular Weight393.5
XLogP-0.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity739
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C34CC5CC(C3)CC(C5)(C4)N)C(=O)O)C
InChI
InChI=1S/C19H27N3O4S/c1-17(2)12(15(24)25)22-13(23)11(14(22)27-17)21-16(26)18-4-9-3-10(5-18)7-19(20,6-9)8-18/h9-12,14H,3-8,20H2,1-2H3,(H,21,26)(H,24,25)/t9?,10?,11-,12+,14-,18?,19?/m1/s1
InChIKey
AZGNYRUNQKZSJQ-LMYIQIHKSA-N
Chemical Structure
2D Structure
2D structure of Amantocillin
CAS: 10004-67-8
CID: 10318432
Formula: C19H27N3O4S
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass393.17222752
Monoisotopic Mass393.17222752
Topological Polar Surface Area138 Ų
Heavy Atom Count27
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T25072-01Amantocillin

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