CCOC(=O)C1(C2C1C(C(C2)N)(C(=O)OCC)NC(=O)OC(C)(C)C)F
Name: diethyl (1R,2R,3R,5R,6R)-3-amino-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILES: CCOC(=O)C1(C2C1C(C(C2)N)(C(=O)OCC)NC(=O)OC(C)(C)C)F

Molecular Processing

Molecular formula
C17H27FN2O6
Molecular weight
374.41
Exact mass
374.1853
XLogP
1.06
TPSA
116.95
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.824
Molar refractivity
88.78

Supplementary Information

InChIKey: JHWWAQFDLBOPNR-NYBZRYDBSA-N
Synonyme
SCHEMBL232862JHWWAQFDLBOPNR-NYBZRYDBSA-N(1R, 2R, 3R, 5R, 6R)-3-amino-2-t-butoxycarbonylamino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester(1R,2R,3R,5R,6R)-3-amino-2-t-butoxycarbonylamino-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester(1R,2R,3R,5R,6R)-3-amino-2-t-butoxycarbonylamino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester
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