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Dilept

CAT: 0926-AIA95439-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-AIA95439-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200954-39-8
MDL Number
MFCD24387534
Smiles
C1COCCN1CC2=CC=C (C=C2) NC (=O) C3=CC=C (O3) C4=CC (=CC=C4) Cl
Molecular Formula
C22H21ClN2O3
Molecular Weight
396.9 g/mol
Controlled
No

Chemical Information

Dilept
CAS Number200954-39-8
PubChem CID9821787
IUPAC Namemethyl (2S)-2-[[(2S)-1-hexanoylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC21H30N2O5
Molecular Weight390.5
XLogP3.1
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity531
SMILES
CCCCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC
InChI
InChI=1S/C21H30N2O5/c1-3-4-5-8-19(25)23-13-6-7-18(23)20(26)22-17(21(27)28-2)14-15-9-11-16(24)12-10-15/h9-12,17-18,24H,3-8,13-14H2,1-2H3,(H,22,26)/t17-,18-/m0/s1
InChIKey
HNWPAYLOEFDTJN-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Dilept
CAS: 200954-39-8
CID: 9821787
Formula: C21H30N2O5
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass390.21547206
Monoisotopic Mass390.21547206
Topological Polar Surface Area95.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity531
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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