Name: Name:D-Proline, 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-diMethylpropyl)-, 1,1-diMethylethyl ester, (3S,4R,5S)-rel-
Brand: Angene
SKU: AG009CB8
Rating: 90 (10 reviews)

D-Proline, 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-diMethylpropyl)-, 1,1-diMethylethyl ester, (3S,4R,5S)-rel-

CAS No.:

1219086-88-0

Catalog Number:

AG009CB8

Molecular Formula:

C27H30Cl2F2N2O2

Molecular Weight:

523.4421

Catalog Number:

AG009CB8

Chemical Name:

D-Proline, 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-diMethylpropyl)-, 1,1-diMethylethyl ester, (3S,4R,5S)-rel-

CAS Number:

1219086-88-0

Molecular Formula:

C27H30Cl2F2N2O2

Molecular Weight:

523.4421

MDL Number:

MFCD28167917

IUPAC Name:

tert-butyl (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate

InChI:

InChI=1S/C27H30Cl2F2N2O2/c1-25(2,3)13-20-27(14-32,17-11-10-15(28)12-19(17)30)21(16-8-7-9-18(29)22(16)31)23(33-20)24(34)35-26(4,5)6/h7-12,20-21,23,33H,13H2,1-6H3/t20-,21-,23+,27-/m0/s1

InChI Key:

GVUURVYUUHABAS-HKTPZVOJSA-N

SMILES:

N#C[C@@]1([C@@H](N[C@H]([C@@H]1c1cccc(c1F)Cl)C(=O)OC(C)(C)C)CC(C)(C)C)c1ccc(cc1F)Cl

Complexity:

820

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

522.165g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

523.446g/mol

Monoisotopic Mass:

522.165g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.1