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Lactoferroxin-C

CAT: 0931-T25599-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T25599-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117667-27-3
Target
Others
Related Pathways
Others
Bioactivity
Lactoferroxin-C is used as an opioid antagonist peptide.
Smiles
C(N[C@H](C(N[C@@H](CC1=CC=C(O)C=C1)C(OC)=O)=O)CCC(N)=O)(=O)[C@H]2N(C(CNC([C@@H](NC([C@H](CC3=CC=C(O)C=C3)NC([C@H](CCCCN)N)=O)=O)CC(C)C)=O)=O)CCC2
Molecular Formula
C43H63N9O11
Molecular Weight
882.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lactoferroxin-C
CAS Number117667-27-3
PubChem CID192714
IUPAC Namemethyl (2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC43H63N9O11
Molecular Weight882.0
XLogP0.4
Topological Polar Surface Area328
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count26
Heavy Atom Count63
Formal Charge0
Complexity1540
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C43H63N9O11/c1-25(2)21-32(50-41(60)33(22-26-9-13-28(53)14-10-26)49-38(57)30(45)7-4-5-19-44)39(58)47-24-37(56)52-20-6-8-35(52)42(61)48-31(17-18-36(46)55)40(59)51-34(43(62)63-3)23-27-11-15-29(54)16-12-27/h9-16,25,30-35,53-54H,4-8,17-24,44-45H2,1-3H3,(H2,46,55)(H,47,58)(H,48,61)(H,49,57)(H,50,60)(H,51,59)/t30-,31-,32-,33-,34-,35-/m0/s1
InChIKey
BZPBEAAFPPOHSJ-LBBUGJAGSA-N
Chemical Structure
2D Structure
2D structure of Lactoferroxin-C
CAS: 117667-27-3
CID: 192714
Formula: C43H63N9O11
MW: 882.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight882.0
XLogP30.4
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count26
Exact Mass881.46470386
Monoisotopic Mass881.46470386
Topological Polar Surface Area328 Ų
Heavy Atom Count63
Formal Charge0
Complexity1540
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19224514-01Lactoferroxin-C
HY-125346Lactoferroxin A
GTR19030259-01Lactoferroxin-A
031095LTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C)
MBS6120857-01LTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C) (AP)
MBS6121707-01LTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C) (PE)
031095-PELTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C) (PE) discontinued
MBS6220627-01LTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C) (MaxLight 650)
MBS6231302-01LTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C) (MaxLight 750)
MBS6121379-01LTF (LTF, LF, Lactotransferrin, Talalactoferrin, Kaliocin-1, Lactoferroxin-A, Lactoferroxin-B, Lactoferroxin-C) (FITC)

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