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BMS-986020 sodium 100mg

CAT: 0628-A21842-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21842-100Size:100 mg
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CAS Number
1380650-53-2

Chemical Information

BMS-986020 (sodium)
CAS Number1380650-53-2
PubChem CID132274336
IUPAC Namesodium 1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Molecular FormulaC29H25N2NaO5
Molecular Weight504.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity770
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)[O-].[Na+]
InChI
InChI=1S/C29H26N2O5.Na/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33;/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33);/q;+1/p-1/t19-;/m1./s1
InChIKey
QDCOVTLBRMPIMY-FSRHSHDFSA-M
Chemical Structure
2D Structure
2D structure of BMS-986020 (sodium)
CAS: 1380650-53-2
CID: 132274336
Formula: C29H25N2NaO5
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass504.16611618
Monoisotopic Mass504.16611618
Topological Polar Surface Area104 Ų
Heavy Atom Count37
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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