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RH01617

CAT: 0013-GTR19196622-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196622-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RH01617
CAS Number
302333-18-2
Field of Research
Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
C ([C@H] (NS (=O) (=O) C1=CC=C (OCCCC) C=C1) C (OC) =O) C=2C=3C (NC2) =CC=CC3
Molecular Formula
C22H26N2O5S
Molecular Weight
430.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 42555404
CAS Number302333-18-2
PubChem CID42555404
IUPAC Namemethyl (2S)-2-[(4-butoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
Molecular FormulaC22H26N2O5S
Molecular Weight430.5
XLogP4.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity642
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC
InChI
InChI=1S/C22H26N2O5S/c1-3-4-13-29-17-9-11-18(12-10-17)30(26,27)24-21(22(25)28-2)14-16-15-23-20-8-6-5-7-19(16)20/h5-12,15,21,23-24H,3-4,13-14H2,1-2H3/t21-/m0/s1
InChIKey
BRMKFAYWVMIHQZ-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of CID 42555404
CAS: 302333-18-2
CID: 42555404
Formula: C22H26N2O5S
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass430.15624311
Monoisotopic Mass430.15624311
Topological Polar Surface Area106 Ų
Heavy Atom Count30
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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