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Platelet Factor 4 (58-70), human 5mg

CAT: 0628-A23136-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A23136-5Size:5 mg
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CAS Number
82989-21-7

Chemical Information

Platelet Factor 4 (58-70) (human)
CAS Number82989-21-7
PubChem CID71773156
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-oxopentanoic acid
Molecular FormulaC76H133N17O18
Molecular Weight1573.0
XLogP-2.4
Topological Polar Surface Area580
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count23
Rotatable Bond Count57
Heavy Atom Count111
Formal Charge0
Complexity2920
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2
InChI
InChI=1S/C76H133N17O18/c1-11-46(9)62(74(108)86-53(24-15-19-35-79)66(100)82-52(23-14-18-34-78)67(101)88-58(40-45(7)8)71(105)89-56(38-43(3)4)70(104)85-55(31-32-61(96)97)68(102)91-60(42-94)76(110)111)93-75(109)63(47(10)12-2)92-69(103)54(25-16-20-36-80)83-65(99)51(22-13-17-33-77)84-73(107)59(41-48-27-29-49(95)30-28-48)90-72(106)57(39-44(5)6)87-64(98)50-26-21-37-81-50/h27-30,43-47,50-60,62-63,81,94-95H,11-26,31-42,77-80H2,1-10H3,(H,82,100)(H,83,99)(H,84,107)(H,85,104)(H,86,108)(H,87,98)(H,88,101)(H,89,105)(H,90,106)(H,91,102)(H,92,103)(H,93,109)(H,96,97)(H,110,111)/t46-,47-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,62-,63-/m0/s1
InChIKey
SACBPCXTLNEHGC-ZIOXNNFISA-N
Chemical Structure
2D Structure
2D structure of Platelet Factor 4 (58-70) (human)
CAS: 82989-21-7
CID: 71773156
Formula: C76H133N17O18
MW: 1573.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1573.0
XLogP3-2.4
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count23
Rotatable Bond Count57
Exact Mass1572.00145046
Monoisotopic Mass1572.00145046
Topological Polar Surface Area580 Ų
Heavy Atom Count111
Formal Charge0
Complexity2920
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes