CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)N)C)C4=COC=C4
Nom: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-amino-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SMILES: CC12CCC3C(=O)OC(CC3(C1C(=O)C(CC2C(=O)OC)N)C)C4=COC=C4

Molecular Processing

Molecular formula
C21H27NO6
Molecular weight
389.45
Exact mass
389.1838
XLogP
2.4
TPSA
108.83
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
97.69

Supplementary Information

InChIKey: VCZKRKGJSSFJER-CEFSSPBYSA-N
Synonymes
CHEMBL379954SCHEMBL3541714VCZKRKGJSSFJER-CEFSSPBYSA-N(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(Amino)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester
Voir la source →
Impliqué dans 5 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→