B1(OC(C(O1)(C)C)(C)C)CCCC2CNCC2(C(=O)NC(C)(C)C)NC(=O)C
Nom: (3R,4S)-3-acetamido-N-tert-butyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]pyrrolidine-3-carboxamide
SMILES: B1(OC(C(O1)(C)C)(C)C)CCCC2CNCC2(C(=O)NC(C)(C)C)NC(=O)C

Molecular Processing

Molecular formula
C20H38BN3O4
Molecular weight
395.35
Exact mass
395.2955
XLogP
1.87
TPSA
88.69
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
110.93

Supplementary Information

InChIKey: LDKGFMFFUIBLFI-YWZLYKJASA-N
Synonymes
SCHEMBL2729926LDKGFMFFUIBLFI-YWZLYKJASA-N(3R,4S)-3-acetamido-N-tert-butyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl)pyrrolidine-3-carboxamide
Voir la source →
Impliqué dans 64 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→