Name: (S)-4-methyl-2-[2-oxo-4-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid methyl ester
SMILES:
COC(=O)[C@H](CC(C)C)N1CC(Oc2cccc3c2CCCC3)=CC1=OMolecular Processing
Molecular formula
C21H27NO4
Molecular weight
357.45
Exact mass
357.194
XLogP
3.26
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
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
0.524
Molar refractivity
98.77
Supplementary Information
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