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A 74273

CAT: 0013-GTR19198415-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198415-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A 74273
CAS Number
130316-95-9
Field of Research
Metabolism Research
Smiles
C (C (=O) N1CCC (OCOC) CC1) (OC (C (NC (CC2CCCCC2) C (CC (C (NCCCN3CCOCC3) =O) C (C) C) O) =O) CCCC) CC4=CC=CC=C4
Molecular Formula
C44H74N4O8
Molecular Weight
787.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 74273

structure given in first source

CAS Number130316-95-9
PubChem CID5483842
IUPAC Name6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-N-(3-morpholin-4-ylpropyl)-2-propan-2-ylhexanamide
Molecular FormulaC44H74N4O8
Molecular Weight787.1
XLogP6.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Heavy Atom Count56
Formal Charge0
Complexity1100
SMILES
CCCC[C@@H](C(=O)NC(CC1CCCCC1)C(CC(C(C)C)C(=O)NCCCN2CCOCC2)O)O[C@@H](CC3=CC=CC=C3)C(=O)N4CCC(CC4)OCOC
InChI
InChI=1S/C44H74N4O8/c1-5-6-18-40(56-41(30-35-16-11-8-12-17-35)44(52)48-23-19-36(20-24-48)55-32-53-4)43(51)46-38(29-34-14-9-7-10-15-34)39(49)31-37(33(2)3)42(50)45-21-13-22-47-25-27-54-28-26-47/h8,11-12,16-17,33-34,36-41,49H,5-7,9-10,13-15,18-32H2,1-4H3,(H,45,50)(H,46,51)/t37?,38?,39?,40-,41-/m0/s1
InChIKey
NVMVSIUABPBQIL-UOKFUGOKSA-N
Chemical Structure
2D Structure
2D structure of A 74273
CAS: 130316-95-9
CID: 5483842
Formula: C44H74N4O8
MW: 787.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.1
XLogP36.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Exact Mass786.55066533
Monoisotopic Mass786.55066533
Topological Polar Surface Area139 Ų
Heavy Atom Count56
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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