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S12

CAT: 0931-T40215-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T40215-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
257872-93-8
Target
Ras
Related Pathways
MAPK
Bioactivity
S12 is a mutant RAS peptide characterized by a Gly (G) to Ser (S12) substitution in its sequence, KLVVVGASGVGKS.
Smiles
CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(O)=O |@@:26,59|
Molecular Formula
C53H97N15O16
Molecular Weight
1200.448
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Lys-Leu-Val-Val-Val-Gly-Ala-Ser-Gly-Val-Gly-Lys-Ser-OH
CAS Number257872-93-8
PubChem CID168013210
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
Molecular FormulaC53H97N15O16
Molecular Weight1200.4
XLogP-4.6
Topological Polar Surface Area505
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count41
Heavy Atom Count84
Formal Charge0
Complexity2200
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C53H97N15O16/c1-26(2)20-34(62-45(75)32(56)16-12-14-18-54)48(78)66-42(29(7)8)51(81)68-43(30(9)10)52(82)67-41(28(5)6)50(80)58-21-37(71)60-31(11)44(74)63-35(24-69)46(76)57-23-39(73)65-40(27(3)4)49(79)59-22-38(72)61-33(17-13-15-19-55)47(77)64-36(25-70)53(83)84/h26-36,40-43,69-70H,12-25,54-56H2,1-11H3,(H,57,76)(H,58,80)(H,59,79)(H,60,71)(H,61,72)(H,62,75)(H,63,74)(H,64,77)(H,65,73)(H,66,78)(H,67,82)(H,68,81)(H,83,84)/t31-,32-,33-,34-,35-,36-,40-,41-,42-,43-/m0/s1
InChIKey
WGLBFKGQQGCZFY-FRNJXDOZSA-N
Chemical Structure
2D Structure
2D structure of H-Lys-Leu-Val-Val-Val-Gly-Ala-Ser-Gly-Val-Gly-Lys-Ser-OH
CAS: 257872-93-8
CID: 168013210
Formula: C53H97N15O16
MW: 1200.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1200.4
XLogP3-4.6
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count41
Exact Mass1199.72377207
Monoisotopic Mass1199.72377207
Topological Polar Surface Area505 Ų
Heavy Atom Count84
Formal Charge0
Complexity2200
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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