Amantocillin

CAT: 0931-T25072-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T25072-03Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

10004-67-8

Target

Others

Related Pathways

Others

Bioactivity

Amantocillin is an antibiotic.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Amantocillin

CAS Number	10004-67-8
PubChem CID	10318432
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 Formula	C19H27N3O4S
Molecular Weight	393.5
XLogP	-0.9
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	739

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

CAS: 10004-67-8

CID: 10318432

Formula: C19H27N3O4S

MW: 393.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	393.5
XLogP3	-0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	393.17222752
Monoisotopic Mass	393.17222752
Topological Polar Surface Area	138 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	739
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5774810	Amantocillin

Amantocillin

Chemical Information

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