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P60c-src substrate II

CAT: 0931-T76391-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T76391-02Size:50 mg
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CAS Number
168781-78-0
Target
Src
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis
Bioactivity
P60c-src substrate II is a potent pentapeptide substrate for the tyrosine kinase pp60c-src [1].
Smiles
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Molecular Formula
C33H44N6O9
Molecular Weight
668.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AC-Ile-tyr-gly-glu-phe-NH2
CAS Number168781-78-0
PubChem CID9874567
IUPAC Name(4S)-4-[[2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC33H44N6O9
Molecular Weight668.7
XLogP0.8
Topological Polar Surface Area246
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Heavy Atom Count48
Formal Charge0
Complexity1120
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)C
InChI
InChI=1S/C33H44N6O9/c1-4-19(2)29(36-20(3)40)33(48)39-26(17-22-10-12-23(41)13-11-22)31(46)35-18-27(42)37-24(14-15-28(43)44)32(47)38-25(30(34)45)16-21-8-6-5-7-9-21/h5-13,19,24-26,29,41H,4,14-18H2,1-3H3,(H2,34,45)(H,35,46)(H,36,40)(H,37,42)(H,38,47)(H,39,48)(H,43,44)/t19-,24-,25-,26-,29-/m0/s1
InChIKey
OZPPBQMEFADOEU-QAXPSLGGSA-N
Chemical Structure
2D Structure
2D structure of AC-Ile-tyr-gly-glu-phe-NH2
CAS: 168781-78-0
CID: 9874567
Formula: C33H44N6O9
MW: 668.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight668.7
XLogP30.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count19
Exact Mass668.31697700
Monoisotopic Mass668.31697700
Topological Polar Surface Area246 Ų
Heavy Atom Count48
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes