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Pentalysine

CAT: 0931-T33917-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T33917-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19431-21-1
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
Pentalysine is a peptide.
Smiles
[C@H](C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CCCCN)=O)(NC([C@@H](NC([C@H](CCCCN)N)=O)CCCCN)=O)CCCCN
Molecular Formula
C30H62N10O6
Molecular Weight
658.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentalysine

RN given refers to (all-L)-isomer

CAS Number19431-21-1
PubChem CID159869
IUPAC Name(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,7S)-2,7,11-triamino-5-(aminomethyl)-6-oxoundecanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
Molecular FormulaC30H62N10O6
Molecular Weight658.9
XLogP-6.1
Topological Polar Surface Area324
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count29
Heavy Atom Count46
Formal Charge0
Complexity896
SMILES
C(CCN)C[C@@H](C(=O)C(CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N)CN)N
InChI
InChI=1S/C30H62N10O6/c31-15-5-1-9-21(36)26(41)20(19-35)13-14-22(37)27(42)38-23(10-2-6-16-32)28(43)39-24(11-3-7-17-33)29(44)40-25(30(45)46)12-4-8-18-34/h20-25H,1-19,31-37H2,(H,38,42)(H,39,43)(H,40,44)(H,45,46)/t20?,21-,22-,23-,24-,25-/m0/s1
InChIKey
XDKDSIDMLJBBDG-PHDXAEFOSA-N
Chemical Structure
2D Structure
2D structure of Pentalysine
CAS: 19431-21-1
CID: 159869
Formula: C30H62N10O6
MW: 658.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight658.9
XLogP3-6.1
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count13
Rotatable Bond Count29
Exact Mass658.48537974
Monoisotopic Mass658.48537974
Topological Polar Surface Area324 Ų
Heavy Atom Count46
Formal Charge0
Complexity896
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5783453Pentalysine

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