L-Proline, 1-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-, 1,1-dimethylethylester 27544-35-0 wiki

1.1 Name: L-Proline, 1-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-, 1,1-dimethylethylester

1.2 Synonyms: L-Proline, 1-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-, 1,1-dimethylethyl ester; L-Proline, N-[(phenylmethoxy)carbonyl]-L-alanyl-, 1,1-dimethylethyl ester; N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-proline 1,1-dimethylethyl ester; Proline, 1-(N-carboxy-L-alanyl)-, N-benzyl tert-butyl ester; Proline, 1-(N-carboxy-L-alanyl)-, N-benzyl tert-butyl ester, L-;

1.6 Inchi: InChI=1S/C20H28N2O5/c1-14(21-19(25)26-13-15-9-6-5-7-10-15)17(23)22-12-8-11-16(22)18(24)27-20(2,3)4/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,21,25)/t14-,16-/m0/s1

1.9 Isomers Smiles: C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

no data available

no data available

Molecular Weight：376.4g/mol
Molecular Formula：C₂₀H₂₈N₂O₅
Compound Is Canonicalized：True
Exact Mass：2.8
XLogP3-AA：376.19982200
Monoisotopic Mass：376.19982200
Complexity：537
Rotatable Bond Count：8
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：84.9
Heavy Atom Count：：27
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADGzhmAYyCIPABACIAiHSGAACAAAgAAAIiIGICIkKZjKAsTifMAAk1gGYqAeY0SIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==