Name: Name:(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
Brand: Angene
SKU: AG00375T
Rating: 90 (10 reviews)

(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

CAS No.:

499995-81-2

Catalog Number:

AG00375T

Molecular Formula:

C14H17Cl2NO4

Molecular Weight:

334.1951

Catalog Number:

AG00375T

Chemical Name:

(S)-3-((tert-Butoxycarbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid

CAS Number:

499995-81-2

Molecular Formula:

C14H17Cl2NO4

Molecular Weight:

334.1951

MDL Number:

MFCD03427904

IUPAC Name:

(3S)-3-(2,4-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

InChI:

InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(7-12(18)19)9-5-4-8(15)6-10(9)16/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1

InChI Key:

FYFDBWTUQWRLDK-NSHDSACASA-N

SMILES:

OC(=O)C[C@@H](c1ccc(cc1Cl)Cl)NC(=O)OC(C)(C)C

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

333.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.193g/mol

Monoisotopic Mass:

333.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2