Name: Name:(S)-methyl 5-((tert-butoxycarbonyl)amino)-6-(3-fluorophenyl)-4-oxohexanoate
Brand: Angene
SKU: AG01DFPJ
Rating: 90 (10 reviews)

(S)-methyl 5-((tert-butoxycarbonyl)amino)-6-(3-fluorophenyl)-4-oxohexanoate

CAS No.:

2102412-78-0

Catalog Number:

AG01DFPJ

Molecular Formula:

C18H24FNO5

Molecular Weight:

353.3853

Catalog Number:

AG01DFPJ

Chemical Name:

(S)-methyl 5-((tert-butoxycarbonyl)amino)-6-(3-fluorophenyl)-4-oxohexanoate

CAS Number:

2102412-78-0

Molecular Formula:

C18H24FNO5

Molecular Weight:

353.3853

MDL Number:

MFCD31555269

IUPAC Name:

methyl 6-(3-fluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoate

InChI:

InChI=1S/C18H24FNO5/c1-18(2,3)25-17(23)20-14(15(21)8-9-16(22)24-4)11-12-6-5-7-13(19)10-12/h5-7,10,14H,8-9,11H2,1-4H3,(H,20,23)

InChI Key:

ZIXRVRHNXIEJKA-UHFFFAOYSA-N

SMILES:

COC(=O)CCC(=O)[C@H](Cc1cccc(c1)F)NC(=O)OC(C)(C)C

Complexity:

475

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

353.164g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

353.39g/mol

Monoisotopic Mass:

353.164g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5