Name: (S)-4-methyl-2-[2-oxo-4-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid
SMILES:
CC(C)C[C@@H](C(=O)O)N1CC(Oc2cccc3c2CCCC3)=CC1=OMolecular Processing
Molecular formula
C20H25NO4
Molecular weight
343.42
Exact mass
343.1784
XLogP
3.17
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.39
Supplementary Information
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