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GC376 sodium 50mg

CAT: 0628-A22221-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22221-50Size:50 mg
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CAS Number
1416992-39-6

Chemical Information

GC-376

protease inhibitor

CAS Number1416992-39-6
PubChem CID71481119
IUPAC Namesodium (2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonate
Molecular FormulaC21H30N3NaO8S
Molecular Weight507.5
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity783
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)[O-])NC(=O)OCC2=CC=CC=C2.[Na+]
InChI
InChI=1S/C21H31N3O8S.Na/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25;/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31);/q;+1/p-1/t15?,16-,17-,20?;/m0./s1
InChIKey
BSPJDKCMFIPBAW-JPBGFCRCSA-M
Chemical Structure
2D Structure
2D structure of GC-376
CAS: 1416992-39-6
CID: 71481119
Formula: C21H30N3NaO8S
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass507.16513038
Monoisotopic Mass507.16513038
Topological Polar Surface Area182 Ų
Heavy Atom Count34
Formal Charge0
Complexity783
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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