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AM-8735

CAT: 0013-GTR19204058-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204058-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AM-8735
CAS Number
1429386-01-5
Field of Research
Cell Biology, Protein Biochemistry
Smiles
[C@H] (CS (C (C) (C) C) (=O) =O) (N1[C@@H] ([C@H] (O[C@H] (CC (O) =O) C1=O) C2=CC (Cl) =CC=C2) C3=CC=C (Cl) C=C3) [C@H]4CC4
Molecular Formula
C27H31Cl2NO6S
Molecular Weight
568.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid
CAS Number1429386-01-5
PubChem CID71544420
IUPAC Name2-[(2R,5R,6R)-4-[(1S)-2-tert-butylsulfonyl-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid
Molecular FormulaC27H31Cl2NO6S
Molecular Weight568.5
XLogP4.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity936
SMILES
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1
InChIKey
ZTMSSDQFJNEUNG-WMMXXEOUSA-N
Chemical Structure
2D Structure
2D structure of [(2r,5r,6r)-4-[(1s)-2-(Tert-Butylsulfonyl)-1-Cyclopropylethyl]-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-3-Oxomorpholin-2-Yl]acetic Acid
CAS: 1429386-01-5
CID: 71544420
Formula: C27H31Cl2NO6S
MW: 568.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass567.1249143
Monoisotopic Mass567.1249143
Topological Polar Surface Area109 Ų
Heavy Atom Count37
Formal Charge0
Complexity936
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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