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FLLRN 10mg

CAT: 0628-A23194-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A23194-10Size:10 mg
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CAS Number
141136-84-7

Chemical Information

Phenylalanyl-leucyl-leucyl-arginyl-asparagine

a pentapeptide; an inhibitor of TRP-mediated platelet aggregation

CAS Number141136-84-7
PubChem CID44149309
IUPAC Name(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC31H51N9O7
Molecular Weight661.8
XLogP-2.5
Topological Polar Surface Area287
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count47
Formal Charge0
Complexity1090
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C31H51N9O7/c1-17(2)13-22(38-26(42)20(32)15-19-9-6-5-7-10-19)29(45)39-23(14-18(3)4)28(44)37-21(11-8-12-36-31(34)35)27(43)40-24(30(46)47)16-25(33)41/h5-7,9-10,17-18,20-24H,8,11-16,32H2,1-4H3,(H2,33,41)(H,37,44)(H,38,42)(H,39,45)(H,40,43)(H,46,47)(H4,34,35,36)/t20-,21-,22-,23-,24-/m0/s1
InChIKey
WBNIBLBGDVPFOO-LSBAASHUSA-N
Chemical Structure
2D Structure
2D structure of Phenylalanyl-leucyl-leucyl-arginyl-asparagine
CAS: 141136-84-7
CID: 44149309
Formula: C31H51N9O7
MW: 661.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight661.8
XLogP3-2.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass661.39114500
Monoisotopic Mass661.39114500
Topological Polar Surface Area287 Ų
Heavy Atom Count47
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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