Name: Name:(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
Brand: Angene
SKU: AG00366P
Rating: 90 (10 reviews)

(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

CAS No.:

338990-31-1

Catalog Number:

AG00366P

Molecular Formula:

C18H26ClN3O6

Molecular Weight:

415.8685

Catalog Number:

AG00366P

Chemical Name:

(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate

CAS Number:

338990-31-1

Molecular Formula:

C18H26ClN3O6

Molecular Weight:

415.8685

MDL Number:

MFCD30184953

IUPAC Name:

[2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

InChI:

InChI=1S/C18H26ClN3O6/c1-12(19)27-17(25)22(6)15-13(8-7-9-20-15)11-26-14(23)10-21(5)16(24)28-18(2,3)4/h7-9,12H,10-11H2,1-6H3

InChI Key:

KXWGVTDANRDXRN-UHFFFAOYSA-N

SMILES:

O=C(CN(C(=O)OC(C)(C)C)C)OCc1cccnc1NCC(=O)OC(Cl)C

Complexity:

554

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

415.151g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

415.871g/mol

Monoisotopic Mass:

415.151g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7