CC(C)(C)OC(=O)N[C@H]1COCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O
Name: (2R,6S,13aS,14aR,16aS,Z)-6-(tert-butoxycarbonylamino)-2-(4-fluoroisoindoline-2-carbonyloxy)-5,16-dioxo-2,3,5,6,7,9,10,11,13a,14,14a,15,16,16a-tetradecahydro-1H-cyclopropa(i)pyrrolo[1,2-e][1,5,8]oxadiazacyclopentadecine-14a-carboxylic acid
SMILES: CC(C)(C)OC(=O)N[C@H]1COCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

Molecular Processing

Molecular formula
C31H39FN4O9
Molecular weight
630.67
Exact mass
630.2701
XLogP
2.47
TPSA
163.81
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
45
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.581
Molar refractivity
155

Supplementary Information

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