Products for Research Use Only
RegisterLogin

Boc-Dap-NE 200mg

CAT: 0628-A22548-200Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A22548-200Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
160800-65-7

Chemical Information

(S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CAS Number160800-65-7
PubChem CID20777964
IUPAC Nametert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
Molecular FormulaC23H36N2O5
Molecular Weight420.5
XLogP2.7
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity570
SMILES
C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)OC)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O
InChI
InChI=1S/C23H36N2O5/c1-15(21(27)24-16(2)19(26)17-11-8-7-9-12-17)20(29-6)18-13-10-14-25(18)22(28)30-23(3,4)5/h7-9,11-12,15-16,18-20,26H,10,13-14H2,1-6H3,(H,24,27)/t15-,16-,18+,19-,20-/m1/s1
InChIKey
XJDVGABQIFOWFC-SCQOQHIRSA-N
Chemical Structure
2D Structure
2D structure of (S)-tert-butyl 2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CAS: 160800-65-7
CID: 20777964
Formula: C23H36N2O5
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass420.26242225
Monoisotopic Mass420.26242225
Topological Polar Surface Area88.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A22548-100Boc-Dap-NE 100mg
A22548-25Boc-Dap-NE 25mg
A22548-50Boc-Dap-NE 50mg
A22548-10Boc-Dap-NE 10mg
A22548-10mM-DBoc-Dap-NE 10mM * 1mL in DMSO
A22602-200DAPI dihydrochloride 200mg
A10288-200DAPT (GSI-IX) 200mg
A19638-200Islatravir 200mg
A19468-200TFAP 200mg
A19467-200CITCO 200mg

Alternative Products

CatalogName
555934Boc-Dap-NE
HY-78931GBoc-Dap-NE (GMP)
HY-78932-01Dap-NE
OR1001373-01Dap-NE (hydrochloride)
GTR19233024-01Dap-NE hydrochloride
HY-78931B-01(S, S, S, S, R) -Boc-Dap-NE
HY-78931C-01(S, S, R, S, R) -Boc-Dap-NE
TYD-02741-01(R, S, R, S, R) -Boc-Dap-NE
OR1034286(R, S, S, R, S) -Boc-Dap-NE
HY-78931F(R, S, S, S, R) -Boc-Dap-NE

Popular Products