Name: Name:(R,E)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpent-2-enoate
Brand: Angene
SKU: AG00AMTL
Rating: 90 (10 reviews)

(R,E)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpent-2-enoate

CAS No.:

149709-59-1

Catalog Number:

AG00AMTL

Molecular Formula:

C25H31NO4

Molecular Weight:

409.5179

Catalog Number:

AG00AMTL

Chemical Name:

(R,E)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)aMino)-2-Methylpent-2-enoate

CAS Number:

149709-59-1

Molecular Formula:

C25H31NO4

Molecular Weight:

409.5179

MDL Number:

MFCD23378892

IUPAC Name:

ethyl (E,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoate

InChI:

InChI=1S/C25H31NO4/c1-6-29-23(27)18(2)16-22(26-24(28)30-25(3,4)5)17-19-12-14-21(15-13-19)20-10-8-7-9-11-20/h7-16,22H,6,17H2,1-5H3,(H,26,28)/b18-16+/t22-/m0/s1

InChI Key:

QOCQMJHAWNNWAV-BKELBIJQSA-N

SMILES:

CCOC(=O)/C(=C\C(Cc1ccc(cc1)c1ccccc1)NC(=O)OC(C)(C)C)/C

Complexity:

578

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

409.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

409.526g/mol

Monoisotopic Mass:

409.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.4