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PD 173212

CAT: 0024-sc-204169Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204169Size:10 mg
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CAS Number
217171-01-2

Chemical Information

PD-173212

structure in first source

CAS Number217171-01-2
PubChem CID9916734
IUPAC Name(2S)-N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-tert-butylphenyl)methyl-methylamino]-4-methylpentanamide
Molecular FormulaC38H53N3O3
Molecular Weight599.8
XLogP8.3
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count44
Formal Charge0
Complexity854
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(C)(C)C)N(C)CC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1
InChIKey
GCDHMGROXQUFNR-HEVIKAOCSA-N
Chemical Structure
2D Structure
2D structure of PD-173212
CAS: 217171-01-2
CID: 9916734
Formula: C38H53N3O3
MW: 599.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.8
XLogP38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass599.40869256
Monoisotopic Mass599.40869256
Topological Polar Surface Area70.7 Ų
Heavy Atom Count44
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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