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96426-21-0

Basic Information
CAS No.: 96426-21-0
Name: L-Serine,glycyl-L-arginylglycyl-L-a-aspartyl-
Molecular Structure:
Molecular Structure of 96426-21-0 (L-Serine,glycyl-L-arginylglycyl-L-a-aspartyl-)
Formula: C17H30N8O9
Molecular Weight: 490.4683
Synonyms: L-Serine,N-[N-[N-(N2-glycyl-L-arginyl)glycyl]-L-a-aspartyl]-;11: PN: JP2003089648 SEQID: 12 unclaimed;11: PN: US20050118158 SEQID: 11 unclaimed sequence;12: PN: KR20090132815 PAGE:3 claimed sequence;12: PN: KR20090132911 SEQID: 107 claimed protein;13: PN:JP2004000070 SEQID: 15 unclaimed protein;13: PN: WO03020279 PAGE: 61 unclaimedsequence;15: PN: JP2003210166 SEQID: 15 unclaimed protein;15: PN:JP2004049921 SEQID: 15 unclaimed protein;15: PN: WO2008032712 SEQID: 16unclaimed sequence;16: PN: WO2006075784 SEQID: 16 claimed sequence;17: PN:WO03037247 SEQID: 15 unclaimed sequence;1: PN: JP2004000471 SEQID: 15unclaimed protein;1: PN: WO0063247 SEQID: 26 unclaimed sequence;1: PN:WO0200270 SEQID: 5 claimed protein;1: PN: WO2006115295 SEQID: 5 unclaimedsequence;20: PN: GB2411230 PAGE: 10 unclaimed sequence;21: PN: US20040242483SEQID: 7 unclaimed sequence;22: PN: US20050036980 SEQID: 22 claimed sequence;22: PN: WO02074968 SEQID: 22 unclaimed sequence;24: PN: WO2008050907 SEQID: 24claimed sequence;25: PN: JP2009072081 SEQID: 63 unclaimed protein;27: PN:FR2860236 PAGE: 6 claimed protein;2: PN: JP2002369878 SEQID: 12 unclaimedsequence;2: PN: JP2006045206 PAGE: 20 claimed sequence;2: PN: JP2006045207PAGE: 21 claimed sequence;2: PN: WO2009141664 PAGE: 5 unclaimed sequence;31:PN: WO2007059166 SEQID: 31 unclaimed sequence;34: PN: WO0064486 PAGE: 37unclaimed sequence;3: PN: JP2002281964 SEQID: 19 unclaimed sequence;3: PN:JP2008195682 SEQID: 3 unclaimed protein;3: PN: JP2008195683 SEQID: 3 unclaimedprotein;3: PN: US20060057559 SEQID: 2 unclaimed sequence;3: PN: WO2007030469PAGE: 47 claimed protein;3: PN: WO2009035092 SEQID: 3 claimed sequence;460:PN: WO0069900 SEQID: 1145 unclaimed sequence;46: PN: WO2009120895 SEQID: 46unclaimed sequence;4: PN: CN1807460 PAGE: 2 claimed sequence;4: PN: WO0069472SEQID: 4 unclaimed sequence;51: PN: WO2007108205 SEQID: 63 unclaimed sequence;5: PN: JP2002320666 SEQID: 19 unclaimed sequence;
EINECS:
Density: 1.66 g/cm3
Melting Point:
Boiling Point:
Flash Point:
Solubility:
Appearance: solid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 299.15000
LogP: -2.21460
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Specification

The IUPAC name of L-Serine,glycyl-L-arginylglycyl-L-a-aspartyl- is (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1,3-dihydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid. With the CAS registry number 96426-21-0, it is also named as Glycyl-arginyl-glycyl-aspartyl-serine. The product's categories are Cell Signaling Enzymes; ECM Related Proteins and Peptides Cytoskeleton and Extracellular Matrix; Extracellular Matrix; Extracellular Matrix Peptides (ECM); Extracellular Matrix Peptides and Proteins Peptides for Cell Biology; Fibronectin Fragments and Analogs; Matrix Metalloproteinases Products. It is solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place with the temperature of -20 °C. Besides, it inhibits experimental metastasis of murine melanoma cells.

The other characteristics of L-Serine,glycyl-L-arginylglycyl-L-a-aspartyl- can be summarized as: (1)ACD/LogP: -3.55; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.07; (4)ACD/LogD (pH 7.4): -6.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 17; (10)#H bond donors: 13; (11)#Freely Rotating Bonds: 18; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 109.57 cm3; (14)Molar Volume: 295.3 cm3; (15)Polarizability: 43.44×10-24 cm3; (16)Surface Tension: 79.5 dyne/cm; (17)Rotatable Bond Count: 16; (18)Tautomer Count: 32; (19)Exact Mass: 490.213575; (20)MonoIsotopic Mass: 490.213575; (21)Topological Polar Surface Area: 302; (22)Heavy Atom Count: 34; (23)Complexity: 785; (24)Defined Atom StereoCenter Count: 3.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CN)CCC/N=C(\N)N)CC(=O)O)CO
2. InChI:InChI=1/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
3. InChIKey:RGNVSYKVCGAEHK-GUBZILKMBQ