Products for Research Use Only
RegisterLogin

GB83

CAT: 0013-GTR19197552-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19197552-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
GB83
CAS Number
1252806-86-2
Field of Research
Pharmacology & Drug Discovery
Smiles
C ([C@@H] (NC ([C@H] (CC1CCCCC1) NC (=O) C2=CC=NO2) =O) [C@H] (CC) C) (=O) N3CCC4 (C=5C (CC4) =CC=CC5) CC3
Molecular Formula
C32H44N4O4
Molecular Weight
548.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 49843509
CAS Number1252806-86-2
PubChem CID49843509
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S)-3-methyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular FormulaC32H44N4O4
Molecular Weight548.7
XLogP6.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity882
SMILES
CCC(C)[C@@H](C(=O)N1CCC2(CCC3=CC=CC=C32)CC1)NC(=O)[C@H](CC4CCCCC4)NC(=O)C5=CC=NO5
InChI
InChI=1S/C32H44N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-12,14,18,22-23,26,28H,3-6,9-10,13,15-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22?,26-,28-/m0/s1
InChIKey
ZXMXAOYWSLZLQM-NZNGGYBSSA-N
Chemical Structure
2D Structure
2D structure of CID 49843509
CAS: 1252806-86-2
CID: 49843509
Formula: C32H44N4O4
MW: 548.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass548.33625590
Monoisotopic Mass548.33625590
Topological Polar Surface Area105 Ų
Heavy Atom Count40
Formal Charge0
Complexity882
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5758-10GB83

Popular Products