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Reversin 121

CAT: 0024-sc-205969Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205969Size:5 mg
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CAS Number
174630-04-7

Chemical Information

Reversin 121

Reversin 121 is a hydrophobic peptide chemosensitizer that can reverse P-glycoprotein-mediated multidrug resistance.

CAS Number174630-04-7
PubChem CID9939298
IUPAC Nametert-butyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
Molecular FormulaC34H47N3O9
Molecular Weight641.8
XLogP4.9
Topological Polar Surface Area158
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Heavy Atom Count46
Formal Charge0
Complexity977
SMILES
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C34H47N3O9/c1-33(2,3)45-30(40)26(19-13-14-20-35-31(41)44-23-25-17-11-8-12-18-25)36-29(39)27(37-32(42)46-34(4,5)6)21-28(38)43-22-24-15-9-7-10-16-24/h7-12,15-18,26-27H,13-14,19-23H2,1-6H3,(H,35,41)(H,36,39)(H,37,42)/t26-,27-/m0/s1
InChIKey
SVNKEDMVAQBLLN-SVBPBHIXSA-N
Chemical Structure
2D Structure
2D structure of Reversin 121
CAS: 174630-04-7
CID: 9939298
Formula: C34H47N3O9
MW: 641.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight641.8
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count21
Exact Mass641.33123009
Monoisotopic Mass641.33123009
Topological Polar Surface Area158 Ų
Heavy Atom Count46
Formal Charge0
Complexity977
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes