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(Trp⁶³, Trp⁶⁴) -C3a (63-77)

CAT: 0121-4016370.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4016370.0005Size:5 mg
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CAS Number
130154-64-2
Specifications
H-1264.0005
Sequence
H-Trp-Trp-Gly-Lys-Lys-Tyr-Arg-Ala-Ser-Lys-Leu-Gly-Leu-Ala-Arg-OH
Molecular Formula
C₈₆H₁₃₄N₂₆O₁₈
Molecular Weight
1820.17
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

H-Trp-trp-gly-lys-lys-tyr-arg-ala-ser-lys-leu-gly-leu-ala-arg-OH
CAS Number130154-64-2
PubChem CID49799079
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC86H134N26O18
Molecular Weight1820.1
XLogP-3.4
Topological Polar Surface Area745
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count24
Rotatable Bond Count62
Heavy Atom Count130
Formal Charge0
Complexity3670
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N
InChI
InChI=1S/C86H134N26O18/c1-47(2)37-65(75(120)99-45-71(116)104-66(38-48(3)4)81(126)102-49(5)72(117)108-64(84(129)130)27-18-36-96-86(93)94)110-79(124)62(25-13-16-34-89)107-83(128)69(46-113)112-73(118)50(6)101-77(122)63(26-17-35-95-85(91)92)106-82(127)67(39-51-28-30-54(114)31-29-51)111-80(125)61(24-12-15-33-88)105-78(123)60(23-11-14-32-87)103-70(115)44-100-76(121)68(41-53-43-98-59-22-10-8-20-56(53)59)109-74(119)57(90)40-52-42-97-58-21-9-7-19-55(52)58/h7-10,19-22,28-31,42-43,47-50,57,60-69,97-98,113-114H,11-18,23-27,32-41,44-46,87-90H2,1-6H3,(H,99,120)(H,100,121)(H,101,122)(H,102,126)(H,103,115)(H,104,116)(H,105,123)(H,106,127)(H,107,128)(H,108,117)(H,109,119)(H,110,124)(H,111,125)(H,112,118)(H,129,130)(H4,91,92,95)(H4,93,94,96)/t49-,50-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
InChIKey
WZZZEVMVZFWLNO-QYEYXIDWSA-N
Chemical Structure
2D Structure
2D structure of H-Trp-trp-gly-lys-lys-tyr-arg-ala-ser-lys-leu-gly-leu-ala-arg-OH
CAS: 130154-64-2
CID: 49799079
Formula: C86H134N26O18
MW: 1820.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1820.1
XLogP3-3.4
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count24
Rotatable Bond Count62
Exact Mass1819.03694153
Monoisotopic Mass1819.03694153
Topological Polar Surface Area745 Ų
Heavy Atom Count130
Formal Charge0
Complexity3670
Isotope Atom Count0
Defined Atom Stereocenter Count13
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
MBS658143-01C3a [Trp63, Trp64] (63-77) [Trp-Trp-Gly-Lys-Lys-Tyr-Arg-Ala-Ser-Lys-Leu-Gly-Leu-Ala-Arg]
SP-67117-5[Trp63, 64] - C3a (63 - 77) [Trp-Trp-Gly-Lys-Lys-Tyr-Arg-Ala-Ser-Lys-Leu-Gly-Leu-Ala-Arg; MW 1820.19]
SP-88468-5Necrofibrin, rat (AA: Trp-Thr-Val-Pro-Thr-Ala) (MW: 673.77)
SP-88996-5[Lys1015,1024]-Thrombospondin-1 (1015-1024) (human, bovine, mouse) [Lys-Arg-Phe-Tyr-Val-Val-Met-Trp-Lys-Lys; MW: 1384.77]
SP-89138-1HIV-gp41-Antigenic Peptide 5 (AA: Arg-Val-Thr-Ala-Ile-Glu-Lys-Tyr-Leu-Gln-Asp-Gln-Ala-Arg-Leu-Asn-Ser-Trp-Gly-Cys-Ala-Phe-Arg-Gln-Val-Cys-His-Thr-Thr-Val-Pro-Trp-Val-Asn-Asp-Ser-NH2 (Disulfide bridge: Cys20-Cys26) ) (MW: 4190.77)
SP-55227-1Xenin [H-Met-Leu-Thr-Lys-Phe-Glu-Thr-Lys-Ser-Ala-Arg-Val-Lys-Gly-Leu-Ser-Phe-His-Pro-Lys-Arg-Pro-Trp-lle-Leu-OH MW 2971.63]
SP-54841-1LEAP-2 (38 - 77) (Human) (AA: Met-Thr-Pro-Phe-Trp-Arg-Gly-Val-Ser-Leu-Arg-Pro-Ile-Gly-Ala-Ser-Cys-Arg-Asp-Asp-Ser-Glu-Cys-Ile-Thr-Arg-Leu-Cys-Arg-Lys-Arg-Arg-Cys-Ser-Leu-Ser-Val-Ala-Gln-Glu) (MW: 4585.36)
HY-P1640-01(Trp63, Trp64) ​-​C3a (63-77)
GTR19066514-01[Trp63, 64] - C3a (63 - 77)
CCP1730-01[Trp63, 64]-C3a (63-77)

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