Staphyloferrin A

CAT: 0931-T81099-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T81099-02Size:50 mg

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

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CAS Number

127902-98-1

Target

Antibacterial

Related Pathways

Microbiology/Virology

Bioactivity

Staphyloferrin A, a siderophore, can be utilized in conjunction with antibiotics to investigate drug-resistant bacteria implicated in skin diseases [1].

Smiles

C([C@](CC(O)=O)(C(O)=O)O)C(N[C@H](CCCNC(C[C@](CC(O)=O)(C(O)=O)O)=O)C(O)=O)=O

Molecular Formula

C17H24N2O14

Molecular Weight

480.38

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Butanedioic acid, 2,2'-((1-carboxy-1,4-butanediyl)bis(imino(2-oxo-2,1-ethanediyl)))bis(2-hydroxy-

CAS Number	127902-98-1
PubChem CID	3035516
IUPAC Name	2-[2-[[4-carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Molecular Formula	C17H24N2O14
Molecular Weight	480.4
XLogP	-4.4
Topological Polar Surface Area	285
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Heavy Atom Count	33
Formal Charge	0
Complexity	812

SMILES

C(CC(C(=O)O)NC(=O)CC(CC(=O)O)(C(=O)O)O)CNC(=O)CC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)

InChIKey

VJSIXUQLTJCRCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 127902-98-1

CID: 3035516

Formula: C17H24N2O14

MW: 480.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	480.4
XLogP3	-4.4
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Exact Mass	480.12275344
Monoisotopic Mass	480.12275344
Topological Polar Surface Area	285 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	812
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N11874-01	Staphyloferrin A

Staphyloferrin A

Chemical Information

Alternative Products

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