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Neoenactin B2

CAT: 0013-GTR19256092-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256092-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Neoenactin B2 demonstrates potent antifungal activity against yeast and filamentous fungi.
CAS Number
88231-87-2
Field of Research
Infectious Disease & Virology
Smiles
C (N (CCC (CCCCCCC (CCCCC (C) C) =O) =O) O) ([C@H] (CO) N) =O
Molecular Formula
C20H38N2O5
Molecular Weight
386.526
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neoenactin B2

Neoenactin B2 is an amino acid amide.

CAS Number88231-87-2
PubChem CID10475266
IUPAC Name(2S)-2-amino-N,3-dihydroxy-N-(15-methyl-3,10-dioxohexadecyl)propanamide
Molecular FormulaC20H38N2O5
Molecular Weight386.5
XLogP1.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count27
Formal Charge0
Complexity440
SMILES
CC(C)CCCCC(=O)CCCCCCC(=O)CCN(C(=O)[C@H](CO)N)O
InChI
InChI=1S/C20H38N2O5/c1-16(2)9-7-8-12-17(24)10-5-3-4-6-11-18(25)13-14-22(27)20(26)19(21)15-23/h16,19,23,27H,3-15,21H2,1-2H3/t19-/m0/s1
InChIKey
WAKCZJJZENSBLC-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Neoenactin B2
CAS: 88231-87-2
CID: 10475266
Formula: C20H38N2O5
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass386.27807232
Monoisotopic Mass386.27807232
Topological Polar Surface Area121 Ų
Heavy Atom Count27
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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