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RO314724

CAT: 0013-GTR19209260-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209260-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO314724
CAS Number
112105-54-1
Smiles
[C@@H] (NC ([C@@H] (CC (NO) =O) CC (C) C) =O) (C (N[C@H] (C (OCC) =O) C) =O) CC (C) C
Molecular Formula
C19H35N3O6
Molecular Weight
401.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ro 314724

structure given in first source

CAS Number112105-54-1
PubChem CID5487313
IUPAC Nameethyl (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoate
Molecular FormulaC19H35N3O6
Molecular Weight401.5
XLogP1.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity536
SMILES
CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
InChI
InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1
InChIKey
XKRONJXEXGFBRZ-ZNMIVQPWSA-N
Chemical Structure
2D Structure
2D structure of Ro 314724
CAS: 112105-54-1
CID: 5487313
Formula: C19H35N3O6
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass401.25258584
Monoisotopic Mass401.25258584
Topological Polar Surface Area134 Ų
Heavy Atom Count28
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71420-01RO314724

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