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WRW4

CAT: 0926-FW110173-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FW110173-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
878557-55-2
Synonyms
H-Trp-Arg-Trp-Trp-Trp-Trp-NH2; H-WRWWWW-NH2
Smiles
C1=CC=C2C (=C1) C (=CN2) C[C@@H] (C (=O) N[C@@H] (CCCN=C (N) N) C (=O) N[C@@H] (CC3=CNC4=CC=CC=C43) C (=O) N[C@@H] (CC5=CNC6=CC=CC=C65) C (=O) N[C@@H] (CC7=CNC8=CC=CC=C87) C (=O) N[C@@H] (CC9=CNC1=CC=CC=C19) C (=O) N) N
Molecular Formula
C61H65N15O6
Molecular Weight
1,104.27 g/mol
Controlled
No

Chemical Information

Tryptophyl-arginyl-tryptophyl-tryptophyl-tryptophyl-tryptophanamide

an FPRL2 antagonist

CAS Number878557-55-2
PubChem CID49768327
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC61H65N15O6
Molecular Weight1104.3
XLogP4.7
Topological Polar Surface Area358
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count8
Rotatable Bond Count25
Heavy Atom Count82
Formal Charge0
Complexity2220
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N)N
InChI
InChI=1S/C61H65N15O6/c62-44(24-34-29-67-45-17-6-1-12-39(34)45)56(78)72-50(22-11-23-66-61(64)65)57(79)74-53(27-37-32-70-48-20-9-4-15-42(37)48)59(81)76-54(28-38-33-71-49-21-10-5-16-43(38)49)60(82)75-52(26-36-31-69-47-19-8-3-14-41(36)47)58(80)73-51(55(63)77)25-35-30-68-46-18-7-2-13-40(35)46/h1-10,12-21,29-33,44,50-54,67-71H,11,22-28,62H2,(H2,63,77)(H,72,78)(H,73,80)(H,74,79)(H,75,82)(H,76,81)(H4,64,65,66)/t44-,50-,51-,52-,53-,54-/m0/s1
InChIKey
IRJDOVLLPORVJP-WOAIKHIASA-N
Chemical Structure
2D Structure
2D structure of Tryptophyl-arginyl-tryptophyl-tryptophyl-tryptophyl-tryptophanamide
CAS: 878557-55-2
CID: 49768327
Formula: C61H65N15O6
MW: 1104.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1104.3
XLogP34.7
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count8
Rotatable Bond Count25
Exact Mass1103.52422485
Monoisotopic Mass1103.52422485
Topological Polar Surface Area358 Ų
Heavy Atom Count82
Formal Charge0
Complexity2220
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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