Name: Name:(S)-ethyl 2-((tert-butoxycarbonyl)amino)-3-(4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl)propanoate
Brand: Angene
SKU: AG01DGJS
Rating: 90 (10 reviews)

(S)-ethyl 2-((tert-butoxycarbonyl)amino)-3-(4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl)propanoate

CAS No.:

1428442-18-5

Catalog Number:

AG01DGJS

Molecular Formula:

C23H31N3O6

Molecular Weight:

445.5087

Catalog Number:

AG01DGJS

Chemical Name:

(S)-ethyl 2-((tert-butoxycarbonyl)amino)-3-(4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl)propanoate

CAS Number:

1428442-18-5

Molecular Formula:

C23H31N3O6

Molecular Weight:

445.5087

IUPAC Name:

ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate

InChI:

InChI=1S/C23H31N3O6/c1-8-31-20(28)17(24-21(29)32-23(3,4)5)13-15-9-11-16(12-10-15)18-14(2)25(6)22(30)26(7)19(18)27/h9-12,17H,8,13H2,1-7H3,(H,24,29)/t17-/m0/s1

InChI Key:

FEXQSLSXWIROPF-KRWDZBQOSA-N

SMILES:

CCOC(=O)[C@H](Cc1ccc(cc1)c1c(C)n(C)c(=O)n(c1=O)C)NC(=O)OC(C)(C)C

Complexity:

777

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

445.221g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

445.516g/mol

Monoisotopic Mass:

445.221g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7