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MBP MAPK Substrate

CAT: 0013-GTR19259687-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259687-04Size:5 mg
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Description
MBP MAPK Substrate is used as an exogenous substrate for MAPK.
CAS Number
138028-00-9
Field of Research
Signal Transduction
Purity
>98% (HPLC)
Molecular Formula
C39H70N18O11
Molecular Weight
967.11
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

MBP MAPK Substrate
CAS Number138028-00-9
PubChem CID71308708
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC39H70N18O11
Molecular Weight967.1
XLogP-9.4
Topological Polar Surface Area492
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count15
Rotatable Bond Count28
Heavy Atom Count68
Formal Charge0
Complexity1870
SMILES
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O
InChI
InChI=1S/C39H70N18O11/c1-20(40)34(65)56-16-7-12-26(56)33(64)53-23(9-4-14-48-38(43)44)31(62)55-29(21(2)58)35(66)57-17-6-11-25(57)32(63)51-18-27(59)50-19-28(60)52-22(8-3-13-47-37(41)42)30(61)54-24(36(67)68)10-5-15-49-39(45)46/h20-26,29,58H,3-19,40H2,1-2H3,(H,50,59)(H,51,63)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H,67,68)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t20-,21+,22-,23-,24-,25-,26-,29-/m0/s1
InChIKey
UAPJQIXAXHXPGL-XACXWONYSA-N
Chemical Structure
2D Structure
2D structure of MBP MAPK Substrate
CAS: 138028-00-9
CID: 71308708
Formula: C39H70N18O11
MW: 967.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight967.1
XLogP3-9.4
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count15
Rotatable Bond Count28
Exact Mass966.54714512
Monoisotopic Mass966.54714512
Topological Polar Surface Area492 Ų
Heavy Atom Count68
Formal Charge0
Complexity1870
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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