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Scospondistatin

CAT: 0804-HY-P3995Size: 1 EachDry Ice: NoHazardous: No
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Description
Scospondistatin is an anti-angiogenic peptide that can inhibit proliferation and migration of human umbilical vein endothelial cells in vitro[1].
CAS Number
929555-18-0
UNSPSC
12352209
Target
VEGFR
Type
Peptides
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/scospondistatin.html
Solubility
H2O
Smiles
O=C([C@H]1N(CCC1)C(CN)=O)N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](CS)C(N[C@@H](CO)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CS)C(NCC(NCC(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC2=CNC3=CC=CC=C23
Molecular Formula
C81H127N27O30S2
Molecular Weight
2023.17
References & Citations
[1]Karagiannis ED, et al. Anti-angiogenic peptides identified in thrombospondin type I domains. Biochem Biophys Res Commun. 2007 Jul 20;359 (1) :63-9.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Gly-Pro-Trp-Glu-Asp-Cys-Ser-Val-Ser-Cys-Gly-Gly-Gly-Glu-Gln-Leu-Arg-Ser-Arg-OH
CAS Number929555-18-0
PubChem CID171361111
IUPAC Name(4S)-4-[[2-[[2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC81H127N27O30S2
Molecular Weight2023.2
XLogP-12.9
Topological Polar Surface Area936
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count35
Rotatable Bond Count67
Heavy Atom Count140
Formal Charge0
Complexity4370
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CCCN3C(=O)CN
InChI
InChI=1S/C81H127N27O30S2/c1-37(2)24-47(70(128)95-42(12-7-21-88-80(84)85)66(124)102-50(32-109)73(131)98-46(79(137)138)13-8-22-89-81(86)87)99-68(126)44(15-18-56(83)112)96-67(125)43(16-19-61(117)118)94-59(115)31-92-57(113)29-91-58(114)30-93-65(123)53(35-139)105-74(132)51(33-110)104-78(136)64(38(3)4)107-75(133)52(34-111)103-76(134)54(36-140)106-72(130)49(26-63(121)122)100-69(127)45(17-20-62(119)120)97-71(129)48(25-39-28-90-41-11-6-5-10-40(39)41)101-77(135)55-14-9-23-108(55)60(116)27-82/h5-6,10-11,28,37-38,42-55,64,90,109-111,139-140H,7-9,12-27,29-36,82H2,1-4H3,(H2,83,112)(H,91,114)(H,92,113)(H,93,123)(H,94,115)(H,95,128)(H,96,125)(H,97,129)(H,98,131)(H,99,126)(H,100,127)(H,101,135)(H,102,124)(H,103,134)(H,104,136)(H,105,132)(H,106,130)(H,107,133)(H,117,118)(H,119,120)(H,121,122)(H,137,138)(H4,84,85,88)(H4,86,87,89)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,64-/m0/s1
InChIKey
DVQZDIUCZIWRMQ-LWYCJMMPSA-N
Chemical Structure
2D Structure
2D structure of H-Gly-Pro-Trp-Glu-Asp-Cys-Ser-Val-Ser-Cys-Gly-Gly-Gly-Glu-Gln-Leu-Arg-Ser-Arg-OH
CAS: 929555-18-0
CID: 171361111
Formula: C81H127N27O30S2
MW: 2023.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2023.2
XLogP3-12.9
Hydrogen Bond Donor Count35
Hydrogen Bond Acceptor Count35
Rotatable Bond Count67
Exact Mass2021.8683581
Monoisotopic Mass2021.8683581
Topological Polar Surface Area936 Ų
Heavy Atom Count140
Formal Charge0
Complexity4370
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

Alternative Products

CatalogName
T81188-01Scospondistatin

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