Name: Name:(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate
Brand: Angene
SKU: AG009CIV
Rating: 90 (10 reviews)

(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

CAS No.:

1227311-10-5

Catalog Number:

AG009CIV

Molecular Formula:

C18H24N2O4

Molecular Weight:

332.3942

Catalog Number:

AG009CIV

Chemical Name:

(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-cyano-2,6-dimethylphenyl)propanoate

CAS Number:

1227311-10-5

Molecular Formula:

C18H24N2O4

Molecular Weight:

332.3942

MDL Number:

MFCD28964011

IUPAC Name:

methyl (2S)-3-(4-cyano-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

InChI:

InChI=1S/C18H24N2O4/c1-11-7-13(10-19)8-12(2)14(11)9-15(16(21)23-6)20-17(22)24-18(3,4)5/h7-8,15H,9H2,1-6H3,(H,20,22)/t15-/m0/s1

InChI Key:

HYORTKXZQBJJBT-HNNXBMFYSA-N

SMILES:

COC(=O)[C@H](Cc1c(C)cc(cc1C)C#N)NC(=O)OC(C)(C)C

Complexity:

491

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.4g/mol

Monoisotopic Mass:

332.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3