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PF-3450074

CAT: 0127-BUP11240-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11240-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1352879-65-2
Synonyms
PF-74
Purity
=98%
Smiles
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1c(C)[nH]c2ccccc12)c1ccccc1

Chemical Information

N-Methyl-Nalpha-[(2-Methyl-1h-Indol-3-Yl)acetyl]-N-Phenyl-L-Phenylalaninamide
CAS Number1352879-65-2
PubChem CID49800090
IUPAC Name(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N,3-diphenylpropanamide
Molecular FormulaC27H27N3O2
Molecular Weight425.5
XLogP4.7
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity626
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N(C)C4=CC=CC=C4
InChI
InChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKey
ACDFWSNAQWFRRF-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-Nalpha-[(2-Methyl-1h-Indol-3-Yl)acetyl]-N-Phenyl-L-Phenylalaninamide
CAS: 1352879-65-2
CID: 49800090
Formula: C27H27N3O2
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass425.21032711
Monoisotopic Mass425.21032711
Topological Polar Surface Area65.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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