CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)CCc1cc(C(=O)COC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)ccc1-2
名称: 2-Aza-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid 3-(2-{7-[2-(1-tert-butoxycarbonyl-pyrrolidine-2-carbonyloxy)-acetyl]-9,10-dihydro-phenanthren-2-yl}-2-oxo-ethyl)ester 2-tert-butyl ester
SMILES: CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)CCc1cc(C(=O)COC(=O)C3C4CCC(C4)N3C(=O)OC(C)(C)C)ccc1-2

Molecular Processing

Molecular formula
C40H48N2O10
Molecular weight
716.83
Exact mass
716.3309
XLogP
6.09
TPSA
145.82
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
52
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
188.82

Supplementary Information

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