Fibronectin Active Fragment (GRGDS)

CAT: 0926-PFA-4189-VSize: 0.5 mgDry Ice: NoHazardous: No

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CAT#:0926-PFA-4189-VSize:0.5 mg

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CAS Number

96426-21-0

Synonyms

Gly-Arg-Gly-Asp-Ser

Smiles

C (CC (C (=O) NCC (=O) NC (CC (=O) O) C (=O) NC (CO) C (=O) O) NC (=O) CN) CN=C (N) N

Molecular Formula

C17H30N8O9

Molecular Weight

490.47 g/mol

Controlled

Chemical Information

Glycyl-arginyl-glycyl-aspartyl-serine

synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells

CAS Number	96426-21-0
PubChem CID	123811
IUPAC Name	(3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
Molecular Formula	C17H30N8O9
Molecular Weight	490.5
XLogP	-7.9
Topological Polar Surface Area	302
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	16
Heavy Atom Count	34
Formal Charge	0
Complexity	785

SMILES

C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN)CN=C(N)N

InChI

InChI=1S/C17H30N8O9/c18-5-11(27)23-8(2-1-3-21-17(19)20)14(31)22-6-12(28)24-9(4-13(29)30)15(32)25-10(7-26)16(33)34/h8-10,26H,1-7,18H2,(H,22,31)(H,23,27)(H,24,28)(H,25,32)(H,29,30)(H,33,34)(H4,19,20,21)/t8-,9-,10-/m0/s1

InChIKey

RGNVSYKVCGAEHK-GUBZILKMSA-N

Chemical Structure

2D Structure

CAS: 96426-21-0

CID: 123811

Formula: C17H30N8O9

MW: 490.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	490.5
XLogP3	-7.9
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	16
Exact Mass	490.21357456
Monoisotopic Mass	490.21357456
Topological Polar Surface Area	302 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	785
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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4189-01	Fibronectin Active Fragment (GRGDS)
MBS405856-01	Fibronectin Active Fragment
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MBS658665-01	Fibronectin Fragment (Gly-Arg-Gly-Asp-Ser) (GRGDS)
TP1555L1-01	Fibronectin Active Fragment Control acetate
025-15	Fibronectin Fragment (GRGDSPK)
M30229	YRGDS Fibronectin Fragment
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Fibronectin Active Fragment (GRGDS)

Chemical Information

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