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Sperabillin C

CAT: 0013-GTR19199246-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199246-03Size:100 mg
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Description
Sperabillin C
CAS Number
111337-84-9
Field of Research
Infectious Disease & Virology
Smiles
C ([C@H] (CNC (/C=C/C=C/C) =O) O) [C@H] (CC (NCCC (=N) N) =O) N
Molecular Formula
C15H27N5O3
Molecular Weight
325.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sperabillin C

Sperabillin C has been reported in Pseudomonas fluorescens with data available.

CAS Number111337-84-9
PubChem CID6444138
IUPAC Name(3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide
Molecular FormulaC15H27N5O3
Molecular Weight325.41
XLogP-1.9
Topological Polar Surface Area154
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity448
SMILES
C/C=C/C=C/C(=O)NC[C@@H](C[C@H](CC(=O)NCCC(=N)N)N)O
InChI
InChI=1S/C15H27N5O3/c1-2-3-4-5-14(22)20-10-12(21)8-11(16)9-15(23)19-7-6-13(17)18/h2-5,11-12,21H,6-10,16H2,1H3,(H3,17,18)(H,19,23)(H,20,22)/b3-2+,5-4+/t11-,12-/m1/s1
InChIKey
OAXPQNCOMDEHMJ-IFCBYPGCSA-N
Chemical Structure
2D Structure
2D structure of Sperabillin C
CAS: 111337-84-9
CID: 6444138
Formula: C15H27N5O3
MW: 325.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.41
XLogP3-1.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass325.21138974
Monoisotopic Mass325.21138974
Topological Polar Surface Area154 Ų
Heavy Atom Count23
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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